ChemicalBook CAS DataBase List 5292-43-3

5292-43-3

Name	tert-Butyl bromoacetate
CAS	5292-43-3
EINECS(EC#)	226-133-6
Molecular Formula	C6H11BrO2
MDL Number	MFCD00000188
Molecular Weight	195.05
MOL File	5292-43-3.mol

Synonyms

2-BROMOACETIC ACID-TERT-BUTYL ESTER BROMOACETIC ACID TERT-BUTYL ESTER BUTYLBROMOACETATE-TERT T-BUTYL 2-BROMOACETATE T-BUTYL BROMOACETATE TERT-BUTYL 2-BROMOACETATE TERT-BUTYL BROMOACETATE 1-Butylbromoacetate Acetic acid, bromo-, tert-butyl ester aceticacid,bromo-,1,1-dimethylethylester BrCH2C(O)OC(CH3)3 bromoacetic acid T-butyl ester tertiary butyl bromoacetate 2-Bromoacetic acid-t-butylester #ntert.-Butyl bromoacetate tert-Butylbromoacetate,98% tert-Butyl bromoacetate 98% 2-BROMOACETICACIDTERT-BUTYLESTER(TERT-BUTYLBROMOACETATE) tert-Butyl bromoacetate, 99 % 1,1-Dimethylethyl 2-bromoacetate

Chemical Properties

Appearance	clear colorless to yellow liquid
Melting point	44-47 °C
Boiling point	50 °C10 mm Hg(lit.)
density	1.338
vapor pressure	1.62hPa at 25℃
refractive index	n20/D 1.445(lit.)
Fp	121 °F
storage temp.	0-6°C
solubility	Chloroform, Ethyl Acetate (Slightly)
form	Liquid
color	Clear colorless to yellow
Specific Gravity	1.333 (20/4℃)
Water Solubility	Miscible with ethanol, chloroform and ethyl acetate. Immiscible with water.
Sensitive	Lachrymatory
Detection Methods	GC,NMR
BRN	1753010
InChI	1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKey	BNWCETAHAJSBFG-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CBr
CAS DataBase Reference	5292-43-3(CAS DataBase Reference)
NIST Chemistry Reference	Acetic acid, bromo-, 1,1-dimethylethyl ester(5292-43-3)
EPA Substance Registry System	5292-43-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS05,GHS07
Signal word	Danger
Hazard statements	H226-H302-H314
Precautionary statements	P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes	Xi,F
Risk Statements	R10:Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S24/25:Avoid contact with skin and eyes . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 1993 3/PG 3
WGK Germany	3
F	19
Hazard Note	Irritant/Flammable/Lachrymatory
TSCA	T
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29159080
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B

Raw materials And Preparation Products

Hazard Information

Chemical Properties

clear colorless to yellow liquid

Uses

tert-Butyl Bromoacetate is a halogenated t-butyl acetate commonly used as an alkylating agent. tert-Butyl Bromoacetate is used in the synthesis of collagenase inhibitors.

Uses

tert-Butyl bromoacetate is used as an intermediate in the production of dyes, pharmaceuticals, agrochemicals and in organic compounds. It finds application as an alkylating agent. It plays an important role to prepare (2-oxo-4-vinyl-azetidin-1-yl)-acetic acid tert-butyl ester and in collagenase inhibitors synthesis.

Application

tert-Butyl bromoacetate has been used in the synthesis of:
nitrilotriacetic acid end-functionalized polystyrene by atom transfer radical polymerization
building block for substituted t-butyl acetates
dihydropyranyl prelinker which is useful in polymer-assisted deprotection of oligosacchararides
collagenase inhibitor (S,S,R)-(-)-actinonin It is the starting reagent for the synthesis of N-Oxalylglycine derivatives.

Preparation

Tert-butyl bromoacetate ester was synthesized using bromoacetic acid and isobutylene as raw materials,Amberlyst 15,a strong acidic cation exchange resin,as catalyst,and tert-butanol as modifier.

General Description

tert-Butyl bromoacetate serves as building blocks during the synthesis of model N-substituted oligoglycines (peptoids) containing an N-linked lactoside side-chain.

Flammability and Explosibility

Flammable

Safety

Tert-Butyl bromoacetate is a lachrymator. The reagent, reaction and its work-up should be handled in an adequately ventilated fume hood while wearing gloves, safety glasses and laboratory coat.

Purification Methods

Dissolve the ester in Et2O, wash it well with ice cold 10% aqueous K2CO3, dry it over CaCl2, filter and evaporate the Et2O, then fractionate it through a Vigreux column (p 11) in a vacuum. LACHRYMATORY. [Abramovitch et al. J Am Chem Soc 64 2274 1942, Abramovitch & Hauser J Am Chem Soc 65 986 1943, Beilstein 2 III 482.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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