tert-Butyl phenyl carbonate - CAS 6627-89-0

Name: tert-Butyl phenyl carbonate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032964
Product Name:	tert-Butyl phenyl carbonate
CAS:	6627-89-0
Synonyms:	tert-butyl phenyl carbonate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl phenyl carbonate
Description:	tert-Butyl phenyl carbonate (CAS# 6627-89-0) is used in the synthesis of carbamate protected polyamines as well as in the preparation of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 modulating long chain fatty acid biosynthesis.
Molecular Weight:	194.23
Molecular Formula:	C11H14O3
Canonical SMILES:	CC(C)(C)OC(=O)OC1=CC=CC=C1
InChI:	InChI=1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:	UXWVQHXKKOGTSY-UHFFFAOYSA-N
Boiling Point:	83 °C (0.6 mmHg)
Purity:	98 %
Density:	1.05 g/cm³
MDL:	MFCD00008804
LogP:	3.00050

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Related Functional Groups

Carbonyl 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
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Publication Number	Title	Priority Date
CN-113185478-A	Preparation method of N-tert-butyloxycarbonyl piperazine	20210511
WO-2021181505-A1	Electrode for lithium-ion secondary battery, and lithium-ion secondary battery	20200310
WO-2021130323-A1	Preparation of regenerated polysaccharides	20191223
CN-112803067-A	Electrolyte and lithium secondary battery comprising same	20191114
WO-2021036538-A1	Photosensitive resin composition and application thereof	20190829

PMID	Publication Date	Title	Journal
18826197	20081023	Organic carbonates: experiment and ab initio calculations for prediction of thermochemical properties	The journal of physical chemistry. A
10342332	19990501	Aggrecan degradation in chondrocytes is mediated by reactive oxygen species and protected by antioxidants	Free radical research

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.094294304
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1