N2-((tert-Butoxy)carbonyl)-L-asparagine

HCID 82035CAS 7536-55-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)O
InChIKey
FYYSQDHBALBGHX-YFKPBYRVSA-N
Molecular formula
C9H16N2O5
Average molar mass
232.23 g/mol
Monoisotopic mass
232.10592161

Overview

N(alpha)-t-butoxycarbonyl-L-asparagine is the Nalpha-t-butoxycarbonyl derivative of L-asparagine.

Names & identifiers

Preferred name
N2-((tert-Butoxy)carbonyl)-L-asparagine
IUPAC
(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
English name
BOC-L-Asparagine
Molecular formula
C9H16N2O5
Molecular weight
232.23

Names & synonyms

L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N2-((tert-Butoxy)carbonyl)-L-asparagineDTXSID80884401L-Asparagine, N2-((1,1-dimethylethoxy)carbonyl)-N2-[(tert-butoxy)carbonyl]-L-asparagineRefChem:831514DTXCID701023842231-405-2Boc-Asn-OH7536-55-2Boc-L-asparagineBoc-Asn
Show more names
Nα-(tert-Butoxycarbonyl)-L-asparagineNαBOC-L-ASN15381_FLUKA-Boc-Nω-Boc-N-βNα-BOC-L-Asn
tert-ButoxycarbonylasparagineN-(tert-Butoxycarbonyl)-L-asparagineN-alpha-Boc-L-asparagineMFCD00038152Boc-L-Asn-OHNalpha-Boc-L-asparaginetert-Butoxycarbonyl-L-asparagineN-(tert-Butoxycarbonyl)asparagine

Database identifiers

CAS
7536-55-2
PubChem CID
82035
DTXSID
DTXSID80884401
ChEMBL
CHEMBL1222167
ChEBI
CHEBI:3146
EC Number
231-405-2
Nikkaji
J307.866C

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
16

Physicochemical properties

Melting point
175 °C · 175 °C (dec.)(lit.)
Boiling point
374.39 °C · 374.39°C (rough estimate)
Density
1.2896 · 1.2896 (rough estimate)
refractive index
-7 ° · -7 ° (C=1, DMF)
Flash point
245 °C · 245°C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
2924 19 00
risk_code
20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationL-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-: ACTIVE
Applications · 1 item

UsesNα-Boc-L-asparagine is an N-Boc-protected form of L-Asparagine (A790005). L-Asparagine was first isolated by Robiquet and Vauquelin from asparagus juice (a high source of L-asparagine). L-Asparagine is often incorporated into proteins, and is a basis for some cancer therapies as certain cancerous cells require L-asparagine for growth.

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]

Additional notes

DefinitionChEBI: The Nalpha-t-butoxycarbonyl derivative of L-asparagine

Related reactions

26 records
New reaction record

Linked notes

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