Basic information
- CAS
13734-41-3- Standard SMILES
CC(C)C(NC(=O)OC(C)(C)C)C(=O)O- InChIKey
SZXBQTSZISFIAO-UHFFFAOYSA-N- Molecular formula
- C10H19NO4
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.13140809
Names & identifiers
- Preferred name
- Boc-DL-valine
- IUPAC
- 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-DL-valine54895-12-4DTXSID40297033RefChem:330032DTXCID30248170Boc-DL-Val-OH2-((tert-butoxycarbonyl)amino)-3-methylbutanoic aciddl-n-(tert-butoxycarbonyl)valineN-BOC-DL-VALINEN-(tert-butoxycarbonyl)valinen-t-boc-valineBOC-[15N]VAL-OH
Show more names
BOC-VAL-OHBOC-VALBOC-L-VALINEBOC-L-VAL-OH-OHBOC-L-VALBOC-VALINEN-(TERT-BUTOXYCARBONYL)-L-VALINE(S)-2-(tert-butoxycarbonylamino)-3-methylbutanoic acid(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid
MFCD000699733-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoic acid2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOIC ACIDNSC197197STK367904NSC-197197AB02648
Database identifiers
- CAS
13734-41-3、22838-58-0、54895-12-4- PubChem CID
- 270655
- DTXSID
DTXSID40297033- EC Number
- 993-682-2
- Nikkaji
- J1.513.371F
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
- Formal charge
- 0
- Complexity
- 242
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)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform, DMF, DMSO, Methanol
- pka
- 4.01 · 4.01±0.10(Predicted)
- form
- Fine Crystalline Powder
- color
- White
- optical activity
- 20 · [α]20/D 6.2±0.5°, c = 1% in acetic acid
- Water Solubility
- insoluble
- BRN
- 1711290 · 1711290
- Major Application
- peptide synthesis
- InChI
Safety & regulation
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
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
Downstream products
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
Related reactions
75 records
Compound notes
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