(S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride

Base Information

• Chemical Name: (S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride
• CAS No.: 53912-85-9
• Molecular Formula: C₆H₁₁NO₂*ClH
• Molecular Weight: 165.62
• Hs Code.: 29333990
• European Community (EC) Number: 625-030-7
• DSSTox Substance ID: DTXSID60375822
• Mol file: 53912-85-9.mol

Synonyms:53912-85-9;(S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride;L-beta-Homoproline hydrochloride;L-Beta-homoproline, HCl;2-[(2S)-pyrrolidin-2-yl]acetic acid;hydrochloride;2-Pyrrolidineacetic acid, hydrochloride, (2S)-;L-beta-Homoproline HCl;(S)-3-(Pyrrol-idinecarboxylic acid hydrochloride;2-[(2S)-pyrrolidin-2-yl]acetic Acid Hydrochloride;(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride;(R)-2-(2-Pyrrolidinyl)acetic acid hydrochloride;(S)-2-Pyrrolidineacetic acid hydrochloride;L-|A-Homo-Pro-OH.HCl;H-L-beta-HomoPro-OH HCl;H-Pro-(C#CH2)OH.HCl;(S)-Homoproline hydrochloride;(S)-3-PYRROLIDINECARBOXYLIC ACID HYDROCHLORIDE;SCHEMBL2035544;H-L-beta-HPro-OH Hydrochloride;DTXSID60375822;(S)-2-Pyrrolidineacetic acid HCl;56633-75-1 (non-salt);AMY28614;MFCD07363484;AKOS015898007;CS-W010817;DS-15982;(S)-2-(Pyrrolidin-2-yl)acetic acid HCl;P2777;F12356;(S)-2-(Pyrrolidin-2-yl)aceticacidhydrochloride;EN300-1266201;A829825;'L-beta-Homoproline' hydrochloride, >=98.0% (TLC);S-53912-85-9;[(2S)-Pyrrolidin-2-yl]acetic acid--hydrogen chloride (1/1)

Chemical Property of (S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride

Chemical Property:

• Vapor Pressure: 0.0017mmHg at 25°C
• Melting Point: 208-210 °C
• Boiling Point: 272.3 °C at 760mmHg
• Flash Point: 118.5 °C
• PSA: 49.33000
• LogP: 1.34390
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.0556563
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-PyrrolidineaceticAcidHydrochloride ^*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(NC1)CC(=O)O.Cl
• Isomeric SMILES: C1C[C@H](NC1)CC(=O)O.Cl
• Uses: (S)-2-Pyrrolidineacetic Acid Hydrochloride is the hydrochloride salf from of (S)-2-Pyrrolidineacetic Acid (P997905), a starting material for GABA inhibitors.

Technology Process of (S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride

There total 1 articles about (S)-2-(Pyrrolidin-2-yl)acetic acid hydrochloride 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:

→ 2-pyrrolidineacetic acid hydrochloride (71985-79-0,439918-59-9,53912-85-9)

Guidance literature:

Pyrrolidin, ClCH2COONa, H2O;

DOI:10.1016/0020-1650(74)80074-7

Reference yield:

(R)-2-(pyrrolidin-2-yl)acetic acid hydrochloride salt (439918-59-9,53912-85-9) → (R)-ethyl 2-(1-(4-(2,4-dichlorobenzyloxy)phenyl)pyrrolidin-2-yl)acetate

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 3 h / 20 °C

2: caesium carbonate; palladium diacetate; johnphos / 1,4-dioxane / 16 h / 120 °C

With hydrogenchloride; palladium diacetate; caesium carbonate; johnphos; In 1,4-dioxane; water;

DOI:10.1021/acs.jmedchem.6b01559

Reference yield:

(R)-2-(pyrrolidin-2-yl)acetic acid hydrochloride salt (439918-59-9,53912-85-9) → (R)-2-(1-(4-(2,4-dichlorobenzyloxy)phenyl)pyrrolidin-2-yl)acetic acid hydrochloride

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water / 3 h / 20 °C

2: caesium carbonate; palladium diacetate; johnphos / 1,4-dioxane / 16 h / 120 °C

3: sodium hydroxide / water; 1,4-dioxane / 20 °C

With hydrogenchloride; palladium diacetate; caesium carbonate; sodium hydroxide; johnphos; In 1,4-dioxane; water;

DOI:10.1021/acs.jmedchem.6b01559

Downstream raw materials:

C₁₇H₂₂N₂O₅

C₁₇H₂₂N₂O₅