CID 7014920

Base Information

• Chemical Name: CID 7014920
• CAS No.: 56633-75-1
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.159
• Mol file: 56633-75-1.mol

Synonyms:

Chemical Property of CID 7014920

Chemical Property:

• Vapor Pressure: 0.0017mmHg at 25°C
• Melting Point: 173-175 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7); methanol (67-56-1))
• Refractive Index: 1.47
• Boiling Point: 272.3 °C at 760 mmHg
• PKA: 4.00±0.10(Predicted)
• Flash Point: 118.5 °C
• PSA: 49.33000
• Density: 1.104 g/cm³
• LogP: 0.54190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

99%, ^*data from raw suppliers

(S)-2-PyrrolidineaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC([NH2+]C1)CC(=O)[O-]
• Isomeric SMILES: C1C[C@H]([NH2+]C1)CC(=O)[O-]
• Uses: (S)-2-Pyrrolidineacetic Acid is used as a starting material in the synthetic preparation of GABA uptake and transport inhibitors.

Technology Process of CID 7014920

There total 18 articles about CID 7014920 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

(S)-benzyl 2-(cyanomethyl)pyrrolidine-1-carboxylate (72500-25-5) → (S)-2-(pyrrolidin-2-yl)acetic acid (56633-75-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/0960-894X(96)00029-7

Reference yield: 96.0%

(2S,αS)-tert-butyl pyrrolidin-2-yl-acetate (104553-43-7) → (S)-2-(pyrrolidin-2-yl)acetic acid (56633-75-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1055/s-2002-32580

Reference yield:

(2S)-[1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetic acid → (S)-2-(pyrrolidin-2-yl)acetic acid (56633-75-1)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In ethanol; at 20 ℃; for 1h; under 760.051 Torr;

DOI:10.1002/asia.201301551

upstream raw materials:

N-<(S)-3-Phenyl-2-(2,2-dimethylpropionyloxy)-propionyl>-(S)-pyrrolidin-2-ylessigsaeure

(S)-benzyl 2-(cyanomethyl)pyrrolidine-1-carboxylate

(2S,αS)-tert-butyl pyrrolidin-2-yl-acetate

tert-butyl (2E)-penta-2,4-dienoate

Downstream raw materials:

(S)-2-{[2-(2-tert-Butoxycarbonylsulfanyl-ethylsulfanyl)-4-(tert-butyl-dimethyl-silanyloxy)-phenylcarbamoyl]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 Chippindale, Ann M.,Davies, Stephen G.,Iwamoto, Keiji,Parkin, Richard M.,Smethurst, Christian A. P.,Smith, Andrew D.,Rodriguez-Solla, Humberto. "Asymmetric synthesis of cyclic β-amino acids and cyclic amines via sequential diastereoselective conjugate addition and ring closing metathesis". . p. 3253 - 3265. Retrieved 2007/10/03.
• 2、 Sugano, Yuichi,Katzenellenbogen, John A.. "Synthesis of tetradentate bisamino-bisthiol complexes of oxorhenium(V) as structural mimics of steroids". . p. 361 - 366. Retrieved 2007/10/03.