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4-氯乙酰乙酸乙酯

4-氯乙酰乙酸乙酯用途

【用途一】
用作医药及农药的中间体
【用途二】
医药中间体。

4-氯乙酰乙酸乙酯名称

[ CAS 号 ]:
638-07-3

[ 中文名 ]:
4-氯乙酰乙酸乙酯

[ 英文名 ]:
Ethyl 2-Chloroacetoacetate

[中文别名 ]:

[英文别名 ]:

4-chloro ethyl acetoacetate
Ethyl4-chloroacetoacetate
Ethyl (chloroacetyl)acetate
Butanoic acid, 4-chloro-3-oxo-, ethyl ester
Butanoic acid, 4-chloro-3-oxo-ethylester
Ethyl g-chloroacetoacetate
Ethyl-4-chloracetoacetat
Ethyl 4-chloroacetoa
Ethyl 4-chloro-3-oxobutyrate
4-Chloro-acetoacetic

4-氯乙酰乙酸乙酯物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
235.5±0.0 °C at 760 mmHg

[ 熔点 ]:
-8 °C

[ 分子式 ]:
C₆H₉ClO₃

[ 分子量 ]:
164.587

[ 闪点 ]:
96.7±0.0 °C

[ 精确质量 ]:
164.024017

[ PSA ]:
43.37000

[ LogP ]:
1.54

[ 外观性状 ]:
透明无色至淡黄色红色液体,乙酸气味

[ 蒸汽压 ]:
0.1±0.4 mmHg at 25°C

[ 折射率 ]:
1.436

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
47.5 g/L (20 ºC)

4-氯乙酰乙酸乙酯MSDS

4-氯乙酰乙酸乙酯毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK5110000

CHEMICAL NAME :: Acetoacetic acid, 4-chloro-, ethyl ester

CAS REGISTRY NUMBER :: 638-07-3

BEILSTEIN REFERENCE NO. :: 1761275

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H9-Cl-O3

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 :: 200 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 108 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 88 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 33,695,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 750 mg/kg/15D-I

TOXIC EFFECTS :: Gastrointestinal - gastritis Gastrointestinal - ulceration or bleeding from stomach Liver - other changes

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555360

4-氯乙酰乙酸乙酯安全信息

[ 符号 ]:

GHS05, GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H314

[ 警示性声明 ]:
P280-P301 + P310-P305 + P351 + P338-P310

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

[ 危害码 (欧洲) ]:
T:Toxic;N:Dangerousfortheenvironment;

[ 风险声明 (欧洲) ]:
R24/25;R34;R51/53

[ 安全声明 (欧洲) ]:
S26-S36-S45-S61-S36/37/39

[ 危险品运输编码 ]:
UN 2922 8/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
AK5110000

[ 包装等级 ]:
II

[ 危险类别 ]:
8

[ 海关编码 ]:
2918990090

4-氯乙酰乙酸乙酯合成路线

4-氯乙酰乙酸乙酯上下游产品

4-氯乙酰乙酸乙酯上游产品

4-氯乙酰乙酸乙酯下游产品

4-氯乙酰乙酸乙酯制备

1.制法：

于装有搅拌器、温度计、滴液漏斗、回流冷凝器的反应瓶中，加入乙酰乙酸乙酯(2)58.6g(0.51mol),冰盐浴冷却至0～5℃，搅拌下滴加氯化硫酰61g(0.452mol),保持反应液温度在0～5℃,3～4h加完。加完后自然升温，于室温搅拌反应3h，放置过夜。于40～50℃用水泵减压抽去二氧化硫和氯化氢气体，再升温至90℃，用油泵减压蒸出未反应的乙酰乙酸乙酯(可以套用，再用于下一批氯化反应)。冷却至30℃，得a-氯代乙酰乙酸乙酯(1)粗品75g，收率97%～99%。

4-氯乙酰乙酸乙酯海关

[ 海关编码 ]: 2918300090

[ 中文概述 ]:
2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

4-氯乙酰乙酸乙酯文献

Construction of a two-strain system for asymmetric reduction of ethyl 4-chloro-3-oxobutanoate to (S)-4-chloro-3-hydroxybutanoate ethyl ester.

Appl. Microbiol. Biotechnol. 70(1) , 40-6, (2006)

Escherichia coli M15 (pQE30-car0210) was constructed to express carbonyl reductase (CAR) by cloning the car gene from Candida magnoliae and inserting it into pQE30. By cultivating E. coli M15 (pQE30-c...

Purification and characterization of an alpha-haloketone-resistant formate dehydrogenase from Thiobacillus sp. strain KNK65MA, and cloning of the gene.

Biosci. Biotechnol. Biochem. 67(10) , 2145-53, (2003)

Thiobacillus sp. strain KNK65MA, which produced an NAD-dependent formate dehydrogenase (FDH) highly resistant to alpha-haloketones, was newly isolated, i.e., the enzyme showed no loss of activity afte...

A novel carbonyl reductase from Pichia stipitis for the production of ethyl (S)-4-chloro-3-hydroxybutanoate.

Biotechnol. Lett. 31(4) , 537-42, (2009)

An NADPH-dependent carbonyl reductase (PsCR) gene from Pichia stipitis was cloned. It contains an open reading frame of 849 bp encoding 283 amino acids whose sequence had less than 60% identity to kno...

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