tert-Butyl 2-(4-Bromophenyl)acetate - CAS 33155-58-7

Catalog:	BB021579
Product Name:	tert-Butyl 2-(4-Bromophenyl)acetate
CAS:	33155-58-7
Synonyms:	2-(4-bromophenyl)acetic acid tert-butyl ester; tert-butyl 2-(4-bromophenyl)acetate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-(4-bromophenyl)acetate
Description:	tert-Butyl 2-(4-Bromophenyl)acetate (CAS# 33155-58-7) is used as a reactant in the preparation of thiophene-containing biaryl amide derivatives as glucagon receptor antagonists.
Molecular Weight:	271.15
Molecular Formula:	C12H15BrO2
Canonical SMILES:	CC(C)(C)OC(=O)CC1=CC=C(C=C1)Br
InChI:	InChI=1S/C12H15BrO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChI Key:	ZMSZCAZHKBNPDV-UHFFFAOYSA-N
Appearance:	Yellow liquid
LogP:	3.33330

Publication Number	Title	Priority Date
CN-111592467-A	Nilaparib intermediate, preparation method and application thereof, and synthesis method of nilapab	20200520
EP-3636637-A1	Inhibiting fatty acid synthase (fasn)	20181010
US-2020115368-A1	Inhibiting fatty acid synthase (fasn)	20181010
WO-2020077071-A1	Inhibiting fatty acid synthase (fasn)	20181010
TW-202026283-A	Inhibiting fatty acid synthase (fasn)	20181010

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.02554
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	270.02554
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6