Boc-(R)-4-(2-propynyl)-L-proline
Basic information
- CAS
959581-98-7- Standard SMILES
C#CC[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1- InChIKey
DMBBSZBBZZUEMF-ZJUUUORDSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Boc-(R)-4-(2-propynyl)-L-proline
- IUPAC
- (2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-ynylpyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(prop-2-ynyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C13H19NO4
- Molecular weight
- 253.29
Names & synonyms
959581-98-7Boc-(R)-4-(2-propynyl)-L-proline(2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acidMFCD06659253Boc-(R)-gamma-propynyl-L-proline(2s,4r)-1-(tert-butoxycarbonyl)-4-(prop-2-ynyl)pyrrolidine-2-carboxylic acid(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-ynylpyrrolidine-2-carboxylic acidBoc-(4R)-4-propargyl-L-prolineSCHEMBL18301532DTXSID80376073(2S,4R)-1-tert-butoxycarbonyl-4-prop-2-ynyl-pyrrolidine-2-carboxylic acidAKOS015949955
Show more names
Boc-(R)-γ-propargyl-L-prolineBoc-(R)-4-propargyl-L-proline(Tert-Butoxy)Carbonyl (R)-γ-propynyl-L-ProN-(t-Butoxycarbonyl)-trans-4-propynyl-L-prolineBoc-(2S,4R)-1-(tert-butoxycarbonyl)-4-(prop-2-ynyl)pyrrolidine-2-carboxylicacid(2S,4R)-1-[(tert-butoxy)carbonyl]-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
HY-W142045(2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylicacidAS-46715CS-0201830Boc-(R)-4-(2-propynyl)-L-proline, >=96%F10075(4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)-L-proline
Database identifiers
- CAS
959581-98-7- PubChem CID
- 2762091
- DTXSID
DTXSID80376073
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Melting point
- 95 · 95-97℃
- Boiling point
- 377.027 · 377.027±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.887 · 3.887±0.40(predicted)
- form
- lumps
- optical activity
- -34 · [α]/D -34.0±2°, c = 1% in ethanol
- Major Application
- peptide synthesis
- InChI
- 1S/C13H19NO4/c1-5-6-9-7-10(11(15)16)14(8-9)12(17)18-13(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,15,16)/t9-,10+/m1/s1
- InChIKey
- DMBBSZBBZZUEMF-ZJUUUORDSA-N
- SMILES
- CC(C)(C)OC(=O)N1C[C@H](CC#C)C[C@H]1C(O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 13 · 13 - Non Combustible Solids
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
- Storage Class
- 13 - Non Combustible Solids
Chemistry & industry
Applications
Uses(2S,4R)-1-(tert-Butoxycarbonyl)-4-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic Acid is a chiral reagent used in organic synthesis.
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Compound notes
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