Basic information
- CAS
59936-29-7- Standard SMILES
COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C- InChIKey
WVDGSSCWFMSRHN-QMMMGPOBSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.13140809
Names & identifiers
- Preferred name
- Boc-L-Pro-Ome
- IUPAC
- 1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
- English name
- Boc-L-Proline-methyl ester
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
59936-29-7Boc-L-Pro-OmeDTXSID80361580RefChem:330047DTXCID90312629Boc-Pro-OMeBoc-L-Proline-methyl ester1-tert-butyl 2-methyl (2S)-pyrrolidine-1,2-dicarboxylate(S)-1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylateMFCD01075092N-Boc-L-proline Methyl Ester1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate
Show more names
1-TERT-BUTYL 2-METHYL PYRROLIDINE-1,2-DICARBOXYLATEPyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester(S)-N-(tert-butoxycarbonyl)proline methyl ester1-Boc-LBoc-Pro-OMe(oil)Boc-L-Proline-methyl
1-(tert-butyl) 2-methyl (S)-pyrrolidine-1,2-dicarboxylateN-tert-butoxycarbonylproline methyl esterMethyl (2S)-N-(tert-butoxycarbonyl)pyrrolidine-2-carboxylateN-(tert-butoxycarbonyl)proline methyl esterN-Boc proline methyl esterN-(tert-Butoxycarbonyl)-L-proline Methyl EsterSCHEMBL883030orb2815821
Database identifiers
- CAS
59936-29-7- PubChem CID
- 1277666
- DTXSID
DTXSID80361580- ChEMBL
CHEMBL5013210- Nikkaji
- J338.059I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 89 · 89-91 °C
- Boiling point
- 135 °C/16mmHg · 135°C/16mmHg(lit.)
- Density
- 1.12 · 1.120±0.06 g/cm3(Predicted)
- refractive index
- 1.451 to · 1.4510 to 1.4550
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- -3.35 · -3.35±0.40(Predicted)
- color
- Colorless to Light yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h8H,5-7H2,1-4H3/t8-/m0/s1
- InChIKey
- WVDGSSCWFMSRHN-QMMMGPOBSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC[C@H]1C(OC)=O
- CAS DataBase Reference
- 59936 · 59936-29-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- hs_code
- 2933.99.9701
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-Boc-L-proline methyl ester is generally used as a intermediate in pharmaceutical and chemical research.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司
Related reactions
16 records
Compound notes
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