3-(Boc-amino)cyclobutanone - CAS 154748-49-9

Name: 3-(Boc-amino)cyclobutanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011051
Product Name:	3-(Boc-amino)cyclobutanone
CAS:	154748-49-9
Synonyms:	tert-butyl N-(3-oxocyclobutyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(3-oxocyclobutyl)carbamate
Description:	3-(Boc-amino)cyclobutanone (CAS# 154748-49-9) is used in the preparation of 5-HT1-like receptor agonists. It is also used to synthesize (oxadiazolyl)quinoline derivatives as highly potent HCV NS4B inhibitors.
Molecular Weight:	185.22
Molecular Formula:	C9H15NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CC(=O)C1
InChI:	InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6H,4-5H2,1-3H3,(H,10,12)
InChI Key:	FNHPTFKSPUTESA-UHFFFAOYSA-N
Boiling Point:	302.1 °C at 760 mmHg
Purity:	97.0 %
Density:	1.1 g/cm³
MDL:	MFCD09751872
LogP:	1.63350

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[916792-07-9]C8H5BrFN
2-Bromo-4-fluoro-5-methylbenzonitrile
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112608243-A	Synthesis method of trans-3-aminobutanol	20201215
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021129584-A1	Pd-l1 antagonist compound	20191226
CN-112759593-A	Bridged ring-fused aldehyde pyridine derivative and application thereof	20191101
WO-2021083011-A1	Bridged cycloformylpyridine derivative and use thereof	20191101

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.10519334
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4