tert-butyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride

Base Information

• Chemical Name: tert-butyl (2S)-pyrrolidin-1-ium-2-carboxylate;chloride
• CAS No.: 5497-76-7
• Molecular Formula: C9H18ClNO2
• Molecular Weight: 207.7
• Hs Code.: 29224999
• Mol file: 5497-76-7.mol

Synonyms:

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

Chemical Property:

• Appearance/Colour: white - off-white powder
• Vapor Pressure: 0.121mmHg at 25°C
• Melting Point: 110-112ºC
• Boiling Point: 219.2 ºC at 760 mmHg
• Flash Point: 86.4 ºC
• PSA: 38.33000
• LogP: 2.21090
• Storage Temp.: 0-6°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.1026065
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

L-Proline tert-butyl ester hydrochloride 99+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1CCC[NH2+]1.[Cl-]
• Isomeric SMILES: CC(C)(C)OC(=O)[C@@H]1CCC[NH2+]1.[Cl-]

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

There total 4 articles about tert-butyl (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: 48.0%

isobutene (115-11-7,15220-85-6) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → L-proline tert-butyl ester hydrochloride (5497-76-7,184719-80-0,256478-96-3)

Guidance literature:

With sulfuric acid; In 1,4-dioxane;

DOI:10.1016/S0040-4020(01)91366-3

Reference yield:

N-BOC-proline tert-butyl ester (91237-84-2) → L-proline tert-butyl ester hydrochloride (5497-76-7,184719-80-0,256478-96-3)

Guidance literature:

With hydrogenchloride; In ethyl acetate; Yield given; Ambient temperature;

DOI:10.1021/jo00090a045

Reference yield:

proline tert-butyl ester (2812-46-6) → L-proline tert-butyl ester hydrochloride (5497-76-7,184719-80-0,256478-96-3)

Guidance literature:

Multi-step reaction with 2 steps

2: 1 M HCl / ethyl acetate / Ambient temperature

With hydrogenchloride; In ethyl acetate;

DOI:10.1021/jo00090a045

upstream raw materials:

N-BOC-proline tert-butyl ester

isobutene

L-proline

proline tert-butyl ester

Downstream raw materials:

(S)-tert-butyl 1-(2-(((benzyloxy)carbonyl)amino)acetyl)pyrrolidine-2-carboxylate

(S)-1-[2-(Trityl-amino)-acetyl]-pyrrolidine-2-carboxylic acid tert-butyl ester

Z-Phe-D-Val-Pro-OBu^t

Z-Phe-Val-Pro-OBu^t

Refernces

• 1、 Thorsen, M.,Andersen, T. P.,Pedersen, U.,Yde, B.,Lawesson, S.-O.,Hansen. H. F.. "STUDIES ON AMINO ACIDS AND PEPTIDES X. HPLC-MEDIATED TEST OF 2,4-BIS(4-METHOXYPHENYL)-1,3,2,4-DITHIADIPHOSPHETANE 2,4-DISULFIDE (LAWESSONS'S REAGENT) AS A RACEMIZATIONFREE COUPLING REAGENT IN PEPTIDE SYNTHESIS". . p. 5633 - 5636. Retrieved 2007/10/02.