methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

Base Information

• Chemical Name: methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride
• CAS No.: 2133-40-6
• Molecular Formula: C6H12ClNO2
• Molecular Weight: 165.62
• Hs Code.: 29189900
• Mol file: 2133-40-6.mol

Synonyms:

Chemical Property of methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

Chemical Property:

• Appearance/Colour: crystalline
• Vapor Pressure: 0.135mmHg at 25°C
• Melting Point: 69-71 °C(lit.)
• Refractive Index: -31.5 ° (C=1, H2O)
• Boiling Point: 169.9 °C at 760 mmHg
• Flash Point: 56.5 °C
• PSA: 38.33000
• Density: 1.055 g/cm³
• LogP: 1.04220
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: Chloroform, Methanol (Slightly), Water (slightly)
• Hydrogen Bond Donor Count: 1
• 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

L-Proline Methyl Ester Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)C1CCC[NH2+]1.[Cl-]
• Isomeric SMILES: COC(=O)[C@@H]1CCC[NH2+]1.[Cl-]
• Uses: L-Proline Methyl Ester Hydrochloride (cas# 2133-40-6) is a compound useful in organic synthesis.

Technology Process of methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

There total 23 articles about methyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride 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: 100.0%

methanol (67-56-1) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → L-proline methyl ester monohydrochloride (2133-40-6)

Guidance literature:

With thionyl chloride; for 1.5h; Heating;

Reference yield: 100.0%

L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → L-proline methyl ester monohydrochloride (2133-40-6)

Guidance literature:

With thionyl chloride; In methanol; at 20 ℃;

DOI:10.1016/j.bmcl.2016.02.007

Reference yield: 100.0%

methanol (67-56-1) + D-Prolin (344-25-2,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → D-proline methyl ester hydrochloride (2133-40-6)

Guidance literature:

With thionyl chloride; at 0 ℃; for 2h;

DOI:10.1021/ja105772z

upstream raw materials:

methanol

L-proline

L-proline

(S)-N-(tert-butoxycarbonyl)proline methyl ester

Downstream raw materials:

1-(4-phenylazo-benzoyl)-L-proline-methyl ester

N-(N-phenylacetyl-β-alanyl)-L-proline methyl ester

N-(benzyloxycarbonyl)-L-leucyl-L-proline methyl ester

methyl N-((benzyloxy)carbonyl)-N-methyl-L-valyl-L-prolinate

Refernces

• 1、 Xie, Sida,Savchenko, Andrei I.,Kerscher, Marion,Grange, Rebecca L.,Krenske, Elizabeth H.,Harmer, Jeffrey R.,Bauer, Michelle J.,Broit, Natasa,Watters, Dianne J.,Boyle, Glen M.,Bernhardt, Paul V.,Parsons, Peter G.,Comba, Peter,Gahan, Lawrence R.,Williams, Craig M.. "Heteroatom-Interchanged Isomers of Lissoclinamide 5: Copper(II) Complexation, Halide Binding, and Biological Activity". . p. 1465 - 1476. Retrieved 2018.
• 2、 Balachandran,Boobalan,Amaladasan,Velmathi. "Synthesis and vibrational spectroscopic investigation of methyl l-prolinate hydrochloride: A computational insight". . p. 676 - 689. Retrieved 2014.
• 3、 Reuter, Cedric,Huy, Peter,Neudoerfl, Joerg-Martin,Kuehne, Ronald,Schmalz, Hans-Guenther. "Exercises in pyrrolidine chemistry: Gram scale synthesis of a Pro-Pro dipeptide mimetic with a polyproline type II helix conformation". . p. 12037 - 12044. Retrieved 2011.
• 4、 Hara, Rintaro Iwata,Saito, Tatsuya,Kogure, Tomoki,Hamamura, Yuka,Uchiyama, Naoki,Nukaga, Yohei,Iwamoto, Naoki,Wada, Takeshi. "Stereocontrolled Synthesis of Boranophosphate DNA by an Oxazaphospholidine Approach and Evaluation of Its Properties". . p. 7971 - 7983. Retrieved 2019.
• 5、 -. "Generic JAKs inhibitor and application thereof". Paragraph 0391-0399. . Retrieved 2021/01/30.
• 6、 -. "METHODS OF TREATING FIBROMYALGIA". Paragraph 0267-0270. . Retrieved 2021/10/11.