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庚二酸

庚二酸用途

Pimelic acid 是一种有机化合物,其衍生物可参与赖氨酸的生物合成。

庚二酸名称

[ CAS 号 ]:
111-16-0

[ 中文名 ]:
庚二酸

[ 英文名 ]:
Pimelic acid

[中文别名 ]:

[英文别名 ]:

Pimefilina [INN-Spanish]
Heptanedioic acid
Pimefylline [INN]
Pimelic acid
Pimefyllinum [INN-Latin]
Pimefyllin
7-(ss-3'-Picolylaminoaethyl)-theophyllin
Pimephylline
7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline
heptanedioate

庚二酸生物活性

[ 描述 ]:

Pimelic acid 是一种有机化合物,其衍生物可参与赖氨酸的生物合成。

[ 相关类别 ]:

天然产物 >> 酸和醛

研究领域 >> 代谢疾病

[ 靶点 ]

Human Endogenous Metabolite

[相关活性小分子]

庚二酸物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
353.7±25.0 °C at 760 mmHg

[ 熔点 ]:
103-105 °C(lit.)

[ 分子式 ]:
C₇H₁₂O₄

[ 分子量 ]:
160.168

[ 闪点 ]:
181.9±19.7 °C

[ 精确质量 ]:
160.073563

[ PSA ]:
74.60000

[ LogP ]:
0.27

[ 外观性状 ]:
白色晶体或晶体粉末

[ 蒸汽压 ]:
0.0±1.7 mmHg at 25°C

[ 折射率 ]:
1.476

[ 储存条件 ]:
室温

[ 稳定性 ]:
Stable. Incompatible with oxidizing agents, bases. Combustible.

[ 水溶解性 ]:
25 g/L (13 ºC)

庚二酸MSDS

庚二酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TK3677000

CHEMICAL NAME :: Pimelic acid

CAS REGISTRY NUMBER :: 111-16-0

BEILSTEIN REFERENCE NO. :: 1210024

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H12-O4

MOLECULAR WEIGHT :: 160.19

WISWESSER LINE NOTATION :: QV5VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,477,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4800 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

庚二酸安全信息

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant;

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
TK3677000

[ 海关编码 ]:
2917190090

庚二酸合成路线

庚二酸上下游产品

庚二酸上游产品

庚二酸下游产品

庚二酸制备

1.将金属钠投入100℃的异戊醇中，继续加热使剧烈回流，滴加水杨酸溶于异戊醇的溶液。回流反应结束后，冷至100℃，搅拌下加入热水，静置分取水层进行水蒸汽蒸馏，除尽异戊醇，收集馏出液至一定量为止。将蒸馏瓶内物料冷却，加入浓盐酸，再进行水蒸汽蒸馏除去水杨酸。然后将残液浓缩至析出氯化钠，冷却析出庚二酸与氯化钠的混合物。将混合物用苯提取，从提取液中浓缩结晶出庚二酸。收率43-50%。

2. 烟草：OR，44；FC，54；BU，26。

3. 从苯中得单斜棱晶。

4.制法：

于装有搅拌器、回流冷凝器的反应瓶中，加入庚二腈（2）18g（0.148mol），50%（质量分数）的硫酸250g，搅拌下加热回流9h。冷后析出固体。过滤。滤液用硫酸铵饱和，乙醚提取3次，每次50mL，合并乙醚层。将滤出的固体溶于乙醚层中，无水硫酸钠干燥，蒸出溶剂后，剩余的固体用含有5%的乙醚的苯重结晶，得纯的庚二酸（1）22g，mp105～106℃，收率93%。

庚二酸海关

[ 海关编码 ]: 2917190090

[ 中文概述 ]:
2917190090 其他无环多元羧酸. 增值税率:17.0% 退税率:9.0% 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分

[ Summary ]:
2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

庚二酸文献

Age-related reference values for urinary organic acids in a healthy Turkish pediatric population.

Clin. Chem. 40(6) , 862-6, (1994)

Organic acid concentrations were quantified by gas chromatography and the individual acids identified by mass spectrometry in urine specimens from a healthy Turkish pediatric population of ages 2 days...

Concentrations of riboflavin and related organic acids in children with protein-energy malnutrition.

Am. J. Clin. Nutr. 71(4) , 978-86, (2000)

Riboflavin, flavin mononucleotide (FMN), and flavin adenine dinucleotide (FAD) concentrations have been little studied in cases of malnutrition.Our objective was to investigate the effects of malnutri...

Azelaic acid--biochemistry and metabolism.

Acta Derm. Venereol. Suppl. (Stockh.) 143 , 8-13, (1989)

Medium chain length dicarboxylic acids (DA) from C8 to C13 are competitive inhibitors of tyrosinase in vitro. The introduction of electron acceptor groups or electron donor groups into the 2 and/or th...

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庚二酸