Basic information
- CAS
35264-07-4- Standard SMILES
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O- InChIKey
QJCNLJWUIOIMMF-SFYZADRCSA-N- Molecular formula
- C11H21NO4
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.14705815
Names & identifiers
- Preferred name
- Boc-allo-Ile-OH
- IUPAC
- (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
- English name
- Boc-allo-Ile-OH
- Molecular formula
- C11H21NO4
- Molecular weight
- 231.29
Names & synonyms
Boc-allo-Ile-OH35264-07-4Boc-L-alloisoleucineMFCD00151905(tert-Butoxycarbonyl)-L-alloisoleucineBoc-allo-Ile-OH.nH2ON-tert-Butoxycarbonyl-L-alloisoleucine(2S,3R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-METHYLPENTANOIC ACIDSCHEMBL3205842(2S,3R)-2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acidAKOS015892637DS-8738
Show more names
Boc-L-Allo-Ile-OHBoc-allo-L-Ile-OHBOC-ALLO-ISOLEUCINEBoc-(2S,3R)-2-amino-3-methylpentanoic acidBoc-allo-lle-OHBOC-ALLO-ILE-OH HYDRATEBoc-L-allo-isoleucine99%BOC-ALLO-ILE-OH USP/EP/BP
Boc-allo-Ile-OH, >=99.0% (TLC)CS-0158737(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acidL-Alloisoleucine, N-[(1,1-dimethylethoxy)carbonyl]-BOC-alloisoleucineQJCNLJWAM81864CHEMBL5306033
Database identifiers
- CAS
35264-07-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 60 · 60-64 °C
- Boiling point
- 356 · 356.0±25.0 °C(Predicted)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.03 · 4.03±0.22(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 12.1 ° · 12.1° (C=0.01 g/ml, CHCL3)
- BRN
- 2212874 · 2212874
- Major Application
- peptide synthesis
- InChI
- 1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
- InChIKey
- QJCNLJWUIOIMMF-SFYZADRCSA-N
- SMILES
- CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesBoc-allo-Ile-OH is used to prepare substituted isoindolines as inhibitors of DPP8/9. It is also used to synthesize antifungal, cyclic depsipeptide aureobasidin A.
Suppliers53 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
Related reactions
1 records
Compound notes
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