Boc-L-Valine

HCID 83693
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Basic information

CAS
13734-41-3
Standard SMILES
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey
SZXBQTSZISFIAO-ZETCQYMHSA-N
Molecular formula
C10H19NO4
Average molar mass
217.26 g/mol
Monoisotopic mass
217.13140809

Names & identifiers

Preferred name
Boc-L-Valine
IUPAC
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
English name
N-Boc-L-valine
Molecular formula
C10H19NO4
Molecular weight
217.26

Names & synonyms

Boc-L-valine13734-41-3L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-Valine, N-((1,1-dimethylethoxy)carbonyl)-DTXSID50884635RefChem:1080068DTXCID401024065Boc-Val-OHN-(tert-Butoxycarbonyl)-L-valineN-Boc-L-valineBoc-L-Val-OHtert-Butoxycarbonylvaline
Show more names
BOC-VAL-OHBOC-L-VAL(S)-2-(tert-butoxycarbonylamino)-3-methylbutanoic acid(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid
(S)-2-(Boc-amino)-3-methylbutyric acidMFCD00065605N-tert-Butyloxycarbonyl-L-valineBoc-valine(S)-2-((tert-Butoxycarbonyl)amino)-3-methylbutanoic acidN-tert-Butoxycarbonyl-L-valineN-t-butyloxycarbonyl-N-methyl-L-valineN-tert-Butoxycarbonylvaline

Database identifiers

CAS
13734-41-3
PubChem CID
83693
DTXSID
DTXSID50884635
ChEMBL
CHEMBL5305170
UNII
28R8GK7LBC
EC Number
237-307-6
Nikkaji
J208.145H

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Physicochemical properties

Melting point
77 · 77-80 °C(lit.)
alpha
-6.3 · -6.3 º (c=1,CH3COOH)
Boiling point
357.82 °C · 357.82°C (rough estimate)
Density
1.1518 · 1.1518 (rough estimate)
vapor pressure
0.002 Pa · 0.002Pa at 25℃
refractive index
-6.5 ° · -6.5 ° (C=1, AcOH)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 88.9% (16 of 18) of all reports.

Warning

H315 (11.1%): 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 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 28-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11807
Hazard Classes and CategoriesSkin Irrit. 2 (11.1%)

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-Valine, N-[(1,1-dimethylethoxy)carbonyl]-: INACTIVE
Applications · 3 items

UsesBoc-Vgl-OH is an important organic intermediate to synthetize substituted vinylglycine products.

UsesN-Boc-L-valine is used in the multi-peptide synthesis and serves as the amino acid protection monomer.

UsesN-tert-butoxycarbonyl-L-proline is used in amino acid conjugates as proteasome inhibitors.

Upstream & downstream products

Upstream raw materials

Suppliers100 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]
南京一化生物科技有限公司13429882898; 13429882898
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

268 records
New reaction record

Compound notes

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