4-氯乙酰乙酸乙酯
4-氯乙酰乙酸乙酯用途
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
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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