Tert-butyl N-(benzyloxy)carbamate

HCID 736159
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Basic information

CAS
79722-21-7
Standard SMILES
CC(C)(C)OC(=O)NOCc1ccccc1
InChIKey
MZNBNPWFHGWAGH-UHFFFAOYSA-N
Molecular formula
C12H17NO3
Average molar mass
223.27 g/mol
Monoisotopic mass
223.1208434

Names & identifiers

Preferred name
Tert-butyl N-(benzyloxy)carbamate
IUPAC
tert-butyl N-phenylmethoxycarbamate
English name
TERT-BUTYL N-(BENZYLOXY)CARBAMATE
Molecular formula
C12H17NO3
Molecular weight
223.27

Names & synonyms

79722-21-7tert-Butyl N-(benzyloxy)carbamateDTXSID30352943RefChem:383810DTXCID70304007628-800-0tert-butyl benzyloxycarbamatetert-butyl N-phenylmethoxycarbamateN-(Benzyloxy)carbamic Acid tert-Butyl Estertert-Butyl (benzyloxy)carbamateMFCD00191873tert-butyl N-benzyloxycarbamate
Show more names
ZONBocXanthoanthrafil-d3LABOTEST-BB LT00452293tert-Butyl (benzyloxy)carbamate 99%tert-Butyl N-(Benzyloxy)carbamate >tert-Butyl N-(benzyloxy)carbamate ,98%tert-Butyl N-(benzyloxy)carbamate, 98.5%
N-Boc-O-benzylhydroxylaminetert-Butyl-N-benzyloxycarbamatetert-Butyl N-(benzyloxy)carbamate, 99%N-tert-butyloxycarbonyl-O-benzylhydroxylamineN-(tert-butoxycarbonyl)-O-benzylhydroxylaminetert-butyl(benzyloxy)carbamate(tert-butoxy)-N-(phenylmethoxy)carboxamideMZNBN

Database identifiers

CAS
79722-21-7
PubChem CID
736159
DTXSID
DTXSID30352943
EC Number
628-800-0
Nikkaji
J1.333.306H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16

Physicochemical properties

Melting point
45 · 45-47 °C (lit.)
Density
1.078 · 1.078±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)
form
Solid
color
White

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29280000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Usestert-Butyl N-(benzyloxy)carbamate was used in the preparation of seven-membered cyclic hydroxamic acids. It may be used in the synthesis of 2-(N-formyl-N-hydroxyamino) ethylphosphonate (IPP).

Usestert-Butyl N-(Benzyloxy)carbamate has been used in the synthesis of Deferoxamine Mesylate (D228980), an iron chelating agent used in therapy for patients with sickle cell diseases and iron overload. Studies suggest that it can exert potential antioxidant neuroprotective effects in stroke patients

General Descriptiontert-Butyl N-(benzyloxy)carbamate (tert-butyl benzyloxycarbamate), a protected hydroxylamine, is an N-alkyl-N-benzyloxy carbamate. Its C-N cross coupling reaction with fluorescein ditriflate has been reported. It participates in facile intramolecular cyclization with various carbon nucleophiles to afford functionalized 5- and 6-membered protected cyclic hydroxamic acids.

Upstream & downstream products

Suppliers98 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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