Benzyl 3-oxocyclobutylcarbamate

Base Information

Chemical Name:Benzyl 3-oxocyclobutylcarbamate
CAS No.:130369-36-7
Molecular Formula:C12H13NO3
Molecular Weight:219.24
Hs Code.:2924299090
DSSTox Substance ID:DTXSID50599999
Wikidata:Q72498603
Mol file:130369-36-7.mol

Synonyms:130369-36-7;Benzyl 3-oxocyclobutylcarbamate;BENZYL (3-OXOCYCLOBUTYL)CARBAMATE;benzyl N-(3-oxocyclobutyl)carbamate;3-Z-Amino-cyclobutanone;N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone;MFCD13152267;Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester;Benzyl(3-oxocyclobutyl)carbamate;(3-Oxo-cyclobutyl)-carbamic acid benzyl ester;3-(Cbz-amino)cyclobutanone;SCHEMBL359650;DTXSID50599999;PSAMWNBBHLUISE-UHFFFAOYSA-N;AKOS015855269;GS-4250;PB18034;AC-25278;SY067322;DB-012833;AM20020385;CS-0018923;EN300-177750;A888760;J-519793

Suppliers and Price of Benzyl 3-oxocyclobutylcarbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Benzyl3-Oxocyclobutylcarbamate
500mg
$ 110.00

TRC
Benzyl3-Oxocyclobutylcarbamate
100mg
$ 60.00

Synthonix
Benzyl3-oxocyclobutylcarbamate 97.0%
1g
$ 50.00

SynQuest Laboratories
Benzyl N-(3-oxocyclobutyl)carbamate
1 g
$ 525.00

SynQuest Laboratories
Benzyl N-(3-oxocyclobutyl)carbamate
250 mg
$ 188.00

Matrix Scientific
Benzyl 3-oxocyclobutylcarbamate 95+%
250mg
$ 100.00

Matrix Scientific
Benzyl 3-oxocyclobutylcarbamate 95+%
5g
$ 300.00

Matrix Scientific
Benzyl 3-oxocyclobutylcarbamate 95+%
1g
$ 127.00

Crysdot
Benzyl(3-oxocyclobutyl)carbamate 97%
10g
$ 184.00

CHESS?
3-Z-amino-cyclobutanone >98
1 g
$ 6000.00

Total 53 raw suppliers

Chemical Property of Benzyl 3-oxocyclobutylcarbamate

Chemical Property:

Appearance/Colour:White crystalline powder
Vapor Pressure:1.03E-06mmHg at 25°C
Refractive Index:1.563
Boiling Point:403.3 °C at 760 mmHg
PKA:11.39±0.20(Predicted)
Flash Point:197.7 °C
PSA：55.40000
Density:1.22 g/cm³
LogP:2.03520
Storage Temp.:2-8°C
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:263

Purity/Quality:

99%, ^*data from raw suppliers

Benzyl3-Oxocyclobutylcarbamate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CC1=O)NC(=O)OCC2=CC=CC=C2
Uses Benzyl 3-Oxocyclobutylcarbamate is used in process for preparation of abrocitinib.

Technology Process of Benzyl 3-oxocyclobutylcarbamate

There total 5 articles about Benzyl 3-oxocyclobutylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

: 130369-36-7
N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.166667h;

In dichloromethane; at 0 - 20 ℃; for 3h;

Reference yield: 55.0%

: 23761-23-1
3-oxocyclobutanecarboxylic acid

: 100-51-6,185532-71-2
benzyl alcohol

: 130369-36-7
N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone

: C₁₃H₁₄N₂O₄

Guidance literature:: 3-oxocyclobutanecarboxylic acid; With diphenyl phosphoryl azide; triethylamine; In tetrahydrofuran; toluene; at 15 - 55 ℃; Inert atmosphere;

benzyl alcohol; In tetrahydrofuran; toluene; at 55 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.oprd.0c00366

Reference yield: 50.0%

: 23761-23-1
3-oxocyclobutanecarboxylic acid

: 100-51-6,185532-71-2
benzyl alcohol

: 130369-36-7
N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone

Guidance literature:: 3-oxocyclobutanecarboxylic acid; With diphenylphosphoranyl azide; N-ethyl-N,N-diisopropylamine; In toluene; at 60 ℃; for 3h; Inert atmosphere;

benzyl alcohol; In toluene; at 60 ℃;