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1-苯基-1-丙醇

1-苯基-1-丙醇用途

1-苯基-1-丙醇在制药工业中用作手性构建块和合成中间体。1-苯基-1-丙醇是抗抑郁药氟西汀[1][2]的中间体。

1-苯基-1-丙醇名称

[ CAS 号 ]:
93-54-9

[ 中文名 ]:
1-苯丙醇

[ 英文名 ]:
phenyl propanol

[中文别名 ]:

[英文别名 ]:

1-phenylpropan-1-ol
1-phenylpropanol
α-ethylbenzyl alcohol
EINECS 202-256-0
Benzenemethanol, α-ethyl-
Ejibil
Choleda
Fepar
Fenicol
SH261

1-苯基-1-丙醇生物活性

[ 描述 ]:

1-苯基-1-丙醇在制药工业中用作手性构建块和合成中间体。1-苯基-1-丙醇是抗抑郁药氟西汀[1][2]的中间体。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Soyer A, et al. Optimization of lipase-catalyzed enantioselective production of 1-phenyl 1-propanol using response surface methodology. Prep Biochem Biotechnol. 2010;40(4):389-404.

[2]. Xavier S, et al. NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods. Spectrochim Acta A Mol Biomol Spectrosc. 2015;137:306-320.

1-苯基-1-丙醇物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
219.0±8.0 °C at 760 mmHg

[ 分子式 ]:
C₉H₁₂O

[ 分子量 ]:
136.191

[ 闪点 ]:
90.6±0.0 °C

[ 精确质量 ]:
136.088821

[ PSA ]:
20.23000

[ LogP ]:
1.91

[ 外观性状 ]:
透明无色透明液体

[ 蒸汽压 ]:
0.1±0.5 mmHg at 25°C

[ 折射率 ]:
1.525

[ 储存条件 ]:
室温

[ 水溶解性 ]:
insoluble

1-苯基-1-丙醇MSDS

1-苯基-1-丙醇毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DO5470000

CHEMICAL NAME :: Benzyl alcohol, alpha-ethyl-

CAS REGISTRY NUMBER :: 93-54-9

BEILSTEIN REFERENCE NO. :: 1906759

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C9-H12-O

MOLECULAR WEIGHT :: 136.21

WISWESSER LINE NOTATION :: QY2&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 700 mg/kg

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

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958

1-苯基-1-丙醇安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R22

[ 安全声明 (欧洲) ]:
S23-S24/25

[ 危险品运输编码 ]:
2810

[ WGK德国 ]:
3

[ RTECS号 ]:
DO5470000

[ 海关编码 ]:
2942000000

1-苯基-1-丙醇合成路线

1-苯基-1-丙醇上下游产品

1-苯基-1-丙醇上游产品

1-苯基-1-丙醇下游产品

1-苯基-1-丙醇制备

由苯丙酮在乙醇中用钾硼氢还原而得。将苯丙酮、乙醇加入反应锅内，冷却搅拌下分次辊入钾硼氢，滴加盐酸调节pH至9-9.5，控制温度不超过30℃。反应结速后用盐酸中和至中性，蒸馏回收乙醇，冷却分层，分去水层后进行减压蒸馏，收集108-116℃（2.66kPa）馏分，即为1-苯丙醇。收率96%。

1-苯基-1-丙醇海关

[ 海关编码 ]: 2906299090

[ 中文概述 ]:
2906299090 其他芳香醇. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:5.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

1-苯基-1-丙醇文献

Purification and characterization of 2-aminoacetophenone reductase of newly isolated Burkholderia sp. YT.

J. Biosci. Bioeng. 104(5) , 416-9, (2007)

We found that a newly isolated Burkholderia sp. produced (R)-2-amino-1-phenylethanol from 2-aminoacetophenone, showing the high stereospecificity. NADPH-dependent 2-aminoacetophenone reductase purifie...

Study of the adsorption behavior of the enantiomers of 1-phenyl-1-propanol on a cellulose-based chiral stationary phase.

J. Chromatogr. A. 877(1-2) , 95-107, (2000)

Using single-step frontal analysis, we measured single-component and competitive adsorption isotherm data for the two enantiomers of 1-phenyl-1-propanol (PP). These experimental data were fitted to se...

Density functional theory studies on the inclusion complexes of cyclic decapeptide with 1-phenyl-1-propanol enantiomers.

J. Mol. Model. 18(3) , 851-8, (2012)

Cyclic peptides are exciting novel hosts for chiral and molecular recognition. In this work, the inclusion complexes of cyclic decapeptide (CDP) with the 1-phenyl-1-propanol enantiomers (E-PP) are fir...

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