Methyl 2-aminopent-4-enoate Hydrochloride

Base Information

• Chemical Name: Methyl 2-aminopent-4-enoate Hydrochloride
• CAS No.: 115289-55-9
• Molecular Formula: C6H11NO2.ClH
• Molecular Weight: 165.62
• Hs Code.: 2922498590
• European Community (EC) Number: 853-257-3
• DSSTox Substance ID: DTXSID20462580
• Mol file: 115289-55-9.mol

Synonyms:Methyl 2-aminopent-4-enoate Hydrochloride;115289-55-9;methyl 2-aminopent-4-enoate;hydrochloride;2-Amino-pent-4-enoic acid methyl ester hydrochloride;4-Pentenoic acid, 2-amino-, methyl ester, hydrochloride (1:1);MFCD22689194;alpha-Allyl-Gly-OMe HCl;SCHEMBL74586;DTXSID20462580;WHHNAMFLUXPVNV-UHFFFAOYSA-N;MFCD25955960;AKOS024464916;DS-8403;Methyl2-aminopent-4-enoateHydrochloride;SB30874;SB34252;SB35469;METHYL 2-AMINOPENT-4-ENOATE HCL;SY333123;CS-0158009;Methyl (S)-2-Amino-4-pentenoate Hydrochloride;EN300-1693585;Methyl 2-aminopent-4-enoate--hydrogen chloride (1/1);Z3067784225;2-amino-pent-4-enoic acid methyl ester hydrochloride salt;Methyl 2-aminopent-4-enoate hydrochloride (H-DL-Gly(All)-OMe.HCl)

Chemical Property of Methyl 2-aminopent-4-enoate Hydrochloride

Chemical Property:

• PSA: 52.32000
• LogP: 1.56510
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 165.0556563
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-pent-4-enoicacidmethylesterhydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CC=C)N.Cl

Technology Process of Methyl 2-aminopent-4-enoate Hydrochloride

There total 3 articles about Methyl 2-aminopent-4-enoate 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: 100.0%

methanol (67-56-1) + rac-allylglycine (1069-48-3,7685-44-1) → methyl DL-2-amino-4-pentenoate hydrochloride (115289-55-9,173723-62-1,217440-34-1)

Guidance literature:

With thionyl chloride; at 20 ℃; for 12h;

DOI:10.1071/CH00029

Reference yield: 93.0%

Methyl 2-(benzhydrylideneamino)-4-pentenoate (118169-12-3,118169-13-4,103550-85-2) → methyl DL-2-amino-4-pentenoate hydrochloride (115289-55-9,173723-62-1,217440-34-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; water; at 25 ℃; for 4h;

DOI:10.1002/cjoc.202100824

Reference yield: 79.2%

→ methyl DL-2-amino-4-pentenoate hydrochloride (115289-55-9,173723-62-1,217440-34-1)

Guidance literature:

In hydrogenchloride; liquid HCl;

upstream raw materials:

methanol

rac-allylglycine

Methyl 2-(benzhydrylideneamino)-4-pentenoate

Downstream raw materials:

N-(2-nitrophenylsulfonyl)-(DL)-alylglycine methyl ester

Refernces

• 1、 Bai, Tian,Dong, Xiu-Qin,Fu, Cong,He, Ling,Wang, Chun-Jiang,Xiao, Lu,Xiong, Qi,Zhang, Zongpeng. "Stereodivergent Synthesis of Carbocyclic Quaternary α-Amino Acid Derivatives Containing Two Contiguous Stereocenters". supporting information. . Retrieved 2022/02/23.
• 2、 Joannesse, Caroline,Johnston, Craig P.,Concellon, Carmen,Simal, Carmen,Philp, Douglas,Smith, Andrew D.. "Isothiourea-catalyzed enantioselective carboxy group transfer". supporting information; experimental part. p. 8914 - 8918. Retrieved 2010/02/28.