tert-Butyl 2-isocyano-3-phenylpropionate - CAS 32755-44-5

Name: tert-Butyl 2-isocyano-3-phenylpropionate
Brand: BOC Sciences
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Catalog:	BB021398
Product Name:	tert-Butyl 2-isocyano-3-phenylpropionate
CAS:	32755-44-5
Synonyms:	tert-butyl 2-isocyano-3-phenylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2-isocyano-3-phenylpropanoate
Description:	tert-Butyl 2-isocyano-3-phenylpropionate (CAS# 32755-44-5 ) is a useful research chemical.
Molecular Weight:	231.29
Molecular Formula:	C14H17NO2
Canonical SMILES:	CC(C)(C)OC(=O)C(CC1=CC=CC=C1)[N+]#[C-]
InChI:	InChI=1S/C14H17NO2/c1-14(2,3)17-13(16)12(15-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-3H3
InChI Key:	ZAWPEVUURWHHNZ-UHFFFAOYSA-N
Purity:	95 %
Storage:	-20 °C
LogP:	2.08940

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112824438-A	Novel synthesis method of polyimide	20191120
CA-2967750-A1	Solid phase synthesis of cyclic amino acid molecules	20141119
EP-3221335-A1	Solid phase synthesis of cyclic amino acid molecules	20141119
US-2017320908-A1	Solid phase synthesis of cyclic amino acid molecules	20141119
WO-2016079682-A1	Solid phase synthesis of cyclic amino acid molecules	20141119

Complexity:	302
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.125928785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.125928785
Rotatable Bond Count:	5
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3