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tert-Butyl chloroacetate

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tert-Butyl chloroacetate Basic information

Product Name:
tert-Butyl chloroacetate
Synonyms:
  • Acetic acid, chloro-, tert-butyl ester
  • aceticacid,chloro-,1,1-dimethylethylester
  • ClCH2C(O)OC(CH3)3
  • tert-Butyl chloroacetate,97%
  • tert-Butyl chloroacetate,99%
  • tert-Butyl chloroace
  • tert-Butyl chloroacetate, 97% 100GR
  • NSC 87891
CAS:
107-59-5
MF:
C6H11ClO2
MW:
150.6
EINECS:
203-506-1
Product Categories:
  • Pharmaceutical intermediates
  • API Intermediate
  • API intermediates
  • C6 to C7
  • Carbonyl Compounds
  • Esters
  • K00001
Mol File:
107-59-5.mol
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tert-Butyl chloroacetate Chemical Properties

Boiling point:
48-49 °C/11 mmHg (lit.)
Density 
1.053 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.423(lit.)
Flash point:
116 °F
storage temp. 
Flammables area
form 
Liquid
Specific Gravity
1.053
color 
Clear colorless to yellow
Water Solubility 
<0.1 g/L (20 ºC)
Merck 
14,1563
BRN 
1753006
LogP
2.07
CAS DataBase Reference
107-59-5(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, chloro-, 1,1-dimethylethyl ester(107-59-5)
EPA Substance Registry System
Acetic acid, chloro-, 1,1-dimethylethyl ester (107-59-5)
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Safety Information

Hazard Codes 
C,N,Xn,Xi,F
Risk Statements 
20/21/22-34-50/53-36/37/38-10
Safety Statements 
26-36/37/39-45-61-60-16-7/9
RIDADR 
UN 2920 8/PG 2
WGK Germany 
3
RTECS 
AF8985500
19-21
TSCA 
Yes
HazardClass 
3
PackingGroup 
III
HS Code 
29154000
Toxicity
rat,LC50,inhalation,4738mg/m3/4H (4738mg/m3),SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONLUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: TREMOR,International Journal of Toxicology. Vol. 19, Pg. 333, 2000.

MSDS

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tert-Butyl chloroacetate Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid. Hydrolysis generates tert-butanol and chloroacetic acid.

Uses

tert-Butyl chloroacetate is used in the synthesis of imidazol-1-yl-acetic acid hydrochloride, cis-disubstituted aziridine ester via aza-Darzens reaction and 1,10-diaza-18-crown-6 based sensors bearing a coumarin fluorophore.

Uses

In the glycidic ester condensation.

Preparation

tert-Butyl chloroacetate synthesis: The tert-butanol was added to the mixture of chloroacetyl chloride and N,N-dimethylaniline, and the temperature was kept below 30°C. The reactant was poured into water, washed and dried, and then fractionated under reduced pressure. The fractions at 48-49°C (1.46kPa) were collected to obtain tert-butyl chloroacetate with a yield of 63%.

Safety Profile

A poison by ingestion. Moderately toxic by inhalation skin contact. S severe sluin and moderate eye irritant. When heated to decomposition it emits toxic vapors of Cl-.

Purification Methods

Check the NMR spectrum; if satisfactory then distil in a vacuum; if not then dissolve in Et2O, wash with H2O, 10% H2SO4 until the acid extract does not become cloudy when made alkaline with NaOH. Wash the organic layer again with H2O, then saturated aqueous NaHCO3, dry over Na2SO4, evaporate and fractionate it through a carborundum-packed column or a 6-inch Widmer column (p 11, see tert-butyl ethyl malonate for precautions to avoid decomposition during disillation). [Johnson et al. J Am Chem Soc 75 4995 1953, Baker Org Synth Coll Vol III 144 1944, Beilstein 2 III 444.]

tert-Butyl chloroacetate Preparation Products And Raw materials

Raw materials

tert-Butyl chloroacetateSupplier

Changzhou Xiaqing Technological Co., Ltd. Gold
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519-519-88783621 13906127738
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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021-61259108 18621169109
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market03@meryer.com
Anqing PhiChem Corporation
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0556-5209970
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Alfa Aesar
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400-6106006
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saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
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021-67121386
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Sales-CN@TCIchemicals.com