(R)-methyl 3-amino-4-methylpentanoate hydrochloride

Base Information

• Chemical Name: (R)-methyl 3-amino-4-methylpentanoate hydrochloride
• CAS No.: 172823-13-1
• Molecular Formula: C₇H₁₅NO₂*ClH
• Molecular Weight: 181.663
• Mol file: 172823-13-1.mol

Synonyms:172823-13-1;(R)-methyl 3-amino-4-methylpentanoate hydrochloride;METHYL (R)-HOMO-BETA-VALINATE HCL;methyl (3R)-3-amino-4-methylpentanoate;hydrochloride;(R)-3-Amino-4-methyl-pentanoic acid methyl ester, HCl;Methyl (R)-homo-beta-valinate hydrochloride;SCHEMBL5419950;PPXNDBYZDBBPCL-FYZOBXCZSA-N;(R)-3-Amino-4-methyl-pentanoic acid methyl ester hydrochloride;MFCD12068619;AS-40287;CS-0171929;EN300-1693637;(R)-methyl3-amino-4-methylpentanoatehydrochloride;A927240;Methyl(R)-3-amino-4-methylpentanoatehydrochloride;methyl(3r)-3-amino-4-methylpentanoate hydrochloride;methyl (3r)-3-amino-4-methylpentanoate hydrochloride;(3R)-3-amino-4-methyl-pentanoic acid methyl ester hydrochloride

Chemical Property of (R)-methyl 3-amino-4-methylpentanoate hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 181.0869564
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

Methyl(R)-homo-β-ValinateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(CC(=O)OC)N.Cl
• Isomeric SMILES: CC(C)[C@@H](CC(=O)OC)N.Cl

Technology Process of (R)-methyl 3-amino-4-methylpentanoate hydrochloride

There total 4 articles about (R)-methyl 3-amino-4-methylpentanoate 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: 92.0%

methanol (67-56-1) + (3S)-3-amino-4-methylpentanoic acid → (S)-homo-β-Val-OMe hydrochloride (679789-35-6,172823-13-1)

Guidance literature:

With thionyl chloride; at 0 - 23 ℃; for 16h; Inert atmosphere;

DOI:10.1021/np500925y

Reference yield: 4.0%

methyl 3-amino-4-methylpentanoate hydrochloride (172823-13-1) + malonic acid dimethyl ester (108-59-8) → (S)-homo-β-Val-OMe hydrochloride (679789-35-6,172823-13-1) + C11H19NO5 (1219839-51-6) + (3R)-3-amino-4-methyl-pentanoic acid methyl ester hydrochloride (172823-13-1)

Guidance literature:

methyl 3-amino-4-methylpentanoate hydrochloride; malonic acid dimethyl ester; With triethylamine; In 1,4-dioxane; at 20 ℃; for 120h; Inert atmosphere; Enzymatic reaction;

With hydrogenchloride; In 1,4-dioxane; water; ethyl acetate; optical yield given as %ee; enantioselective reaction;

DOI:10.1016/j.tetasy.2009.12.021

Reference yield: 4.0%

methyl 3-amino-4-methylpentanoate hydrochloride (172823-13-1) + malonic acid dimethyl ester (108-59-8) → (S)-homo-β-Val-OMe hydrochloride (679789-35-6,172823-13-1) + C11H19NO5 (1219839-51-6) + (3R)-3-amino-4-methyl-pentanoic acid methyl ester hydrochloride (172823-13-1)

Guidance literature:

methyl 3-amino-4-methylpentanoate hydrochloride; malonic acid dimethyl ester; With triethylamine; In 1,4-dioxane; at 20 ℃; for 120h; Inert atmosphere; Enzymatic reaction;

With hydrogenchloride; In 1,4-dioxane; water; ethyl acetate; optical yield given as %ee; enantioselective reaction;

DOI:10.1016/j.tetasy.2009.12.021

upstream raw materials:

malonic acid dimethyl ester

methanol

Downstream raw materials:

(S)-homo-β-Val-OMe hydrochloride

C₁₁H₁₉NO₅