95715-85-8

• 常用中文名：BOC-D-丝氨酸甲酯
• 常用英文名：BOC-D-SER-OME
• CAS号：95715-85-8
• 分子式：C₉H₁₇NO₅
• 分子量：219.235
• 相关类别： 生物化工 氨基酸及其衍生物 丝氨酸类衍生物
• 发布时间：2018-02-14 08:00:00
• 更新时间：2024-01-02 17:48:17
• (R) 2-(叔丁氧羰基氨基)-3-羟基丙酸甲酯是丝氨酸衍生物[1]。

名称

• 中文名: BOC-D-丝氨酸甲酯
• 英文名: Boc-D-Serine methyl ester
• 中文别名: Boc-D-丝氨酸甲酯; N-(叔丁氧基羰基)-D-丝氨酸甲酯
• 英文别名: Methyl N-(tert-butoxycarbonyl)-D-serinate; methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate; Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-serinate; MFCD00270516; D-Serine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester; Boc-D-Ser-OMe

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 354.3±32.0 °C at 760 mmHg
• 分子式: C₉H₁₇NO₅
• 分子量: 219.235
• 闪点: 168.1±25.1 °C
• 精确质量: 219.110672
• PSA: 84.86000
• LogP: 0.80
• 外观性状: 无色至淡黄色液体
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.461
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免接触强氧化剂

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：52.34

  2、 摩尔体积（m³/mol）：190.8

  3、 等张比容（90.2K）：476.8

  4、 表面张力（dyne/cm）：39.0

  5、 介电常数：无可用的

  6、 偶极距（10 ^-24cm ³）：无可用的

  7、 极化率：20.75

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.2

  2.氢键供体数量:2

  3.氢键受体数量:5

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积84.9

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:233

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mL 25ºC）：1.08

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC常压）：未确定

  5. 沸点（ºC）：215

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC，）：113

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值（25℃）：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性(mg/mL) ：未确定

生物活性

• 描述: (R) 2-(叔丁氧羰基氨基)-3-羟基丙酸甲酯是丝氨酸衍生物[1]。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他
• 体外研究: 氨基酸和氨基酸衍生物已被商业化用作能量补充剂。它们影响合成代谢激素的分泌、运动期间的燃料供应、压力相关任务期间的精神表现,并防止运动引起的肌肉损伤。它们被认为是有益的能生膳食物质[1]。
• 参考文献:

  [1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: N-(tert-Butoxycarbonyl)-D-serine methyl ester REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 95715-85-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008. This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements The product does not need to be labelled in accordance with EC directives or respective national laws. Other hazards - none SECTION 3: Composition/information on ingredients Substances Formula: C9H17NO5 Molecular Weight: 219,23 g/mol CAS-No.: 95715-85-8 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Avoid breathing vapours, mist or gas. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end use(s) A part from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection impervious clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 215 °C - lit. boiling range g) Flash point113 °C - closed cup h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density1,08 g/mL at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2924199090

合成路线

24424-99-5 2104-89-4 ~92% 95715-85-8

文献：Tetrahedron Letters, , vol. 36, # 39 p. 7031 - 7034

3262-72-4 74-88-4 ~98% 95715-85-8

文献：Journal of the American Chemical Society, , vol. 116, # 18 p. 8402 - 8403

24424-99-5 5874-57-7 ~99% 95715-85-8

文献：Organic Letters, , vol. 15, # 10 p. 2474 - 2477

24424-99-5 ~% 95715-85-8

文献：Organic Letters, , vol. 5, # 23 p. 4253 - 4256

67-56-1 312-84-5 24424-99-5 ~98% 95715-85-8

文献：Helvetica Chimica Acta, , vol. 90, # 2 p. 217 - 259

186581-53-3 3262-72-4 ~% 95715-85-8

文献：Tetrahedron Letters, , vol. 30, # 29 p. 3799 - 3802

3262-72-4 18107-18-1 ~% 95715-85-8

文献：Organic Letters, , vol. 10, # 19 p. 4363 - 4365

58632-95-4 ~% 95715-85-8

文献：Tetrahedron Letters, , vol. 30, # 29 p. 3799 - 3802

上下游产品

上游产品  10
24424-99-5 2104-89-4 3262-72-4 74-88-4
5874-57-7 67-56-1 312-84-5 186581-53-3
18107-18-1 58632-95-4
下游产品  9
79069-15-1 95715-87-0 55477-80-0 102507-19-7
102507-13-1 167102-62-7 168772-32-5 171623-07-7
660852-86-8

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%