| Identification | More | [Name]
1-Boc-pyrrolidine-3-carboxylic acid | [CAS]
59378-75-5 | [Synonyms]
1-N-BOC-BELTA-PROLINE
1-N-BOC-BETA-PROLINE
1-N-BOC-PYRROLIDINE-3-CARBOXYLIC ACID
1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
3-CARBOXY-1-BOC-PYRROLIDINE
BOC-1-PYRROLIDINE-3-CARBOXYLIC ACID
1-(tert-Butoxycarbonyl)pyrollidine-3-carboxylic acid
Pyrroline-3-carboxylic acid, N-BOC protected
Pyrrolidine-3-carboxylic acid, N-BOC protected
N-BOC-3-PYRROLIDINE CARBOXYLIC ACID
N-BOC-PYRROLIDINE-3-CARBOXYLIC ACID | [Molecular Formula]
C10H17NO4 | [MDL Number]
MFCD02179181 | [Molecular Weight]
215.25 | [MOL File]
59378-75-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
133-138 °C | [Boiling point ]
337.2±35.0 °C(Predicted) | [density ]
1.201±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
soluble in Chloroform | [form ]
powder to crystal | [pka]
4.47±0.20(Predicted) | [color ]
White to Light yellow to Light orange | [Optical Rotation]
0.033°(C=0.01g/ml CHCL3) | [InChI]
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) | [InChIKey]
HRMRQBJUFWFQLX-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCC(C(O)=O)C1 | [CAS DataBase Reference]
59378-75-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 3077 9/PG 3 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29339900 |
| Hazard Information | Back Directory | [Chemical Properties]
Gray white solid | [Uses]
Pyrrolidine-1,3-dicarboxylic Acid 1-tert-Butyl Ester is a reactant used in the synthesis of potent and highly selective ERK1,2 inhibitors. | [Synthesis]
The general procedure for the synthesis of (R)-1-Boc-3-carboxypyrrolidine from methyl 1-Boc-pyrrolidine-3-carboxylate was as follows: sodium hydroxide (0.80 g, 20.00 mmol) was dissolved in water (15 mL), and this solution was added to a methanol (30 mL) of methyl 1-Boc-pyrrolidine-3-carboxylate (2.30 g, 10.00 mmol) solution. The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, methanol was removed by concentration under reduced pressure. Subsequently, the pH of the solution was adjusted to 4 with 2 M glacial acetic acid and then extracted with dichloromethane (50 mL x 3). The organic layers were combined and dried with anhydrous sodium sulfate. After filtration, the organic phase was concentrated under reduced pressure to give 1.80 g of oily product in 83.00% yield. | [References]
[1] Organic Letters, 2005, vol. 7, # 15, p. 3287 - 3289
[2] Journal of Medicinal Chemistry, 2001, vol. 44, # 1, p. 94 - 104
[3] European Journal of Organic Chemistry, 2005, # 4, p. 673 - 682
[4] Patent: CN106336413, 2017, A. Location in patent: Paragraph 0453; 0454; 0455
[5] Journal of Medicinal Chemistry, 1990, vol. 33, # 7, p. 2052 - 2059 |
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