Methyl 1-aminocyclopropanecarboxylate

Base Information

• Chemical Name: Methyl 1-aminocyclopropanecarboxylate
• CAS No.: 72784-43-1
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID20370671
• Nikkaji Number: J554.040B
• Wikidata: Q72486875
• ChEMBL ID: CHEMBL340553
• Mol file: 72784-43-1.mol

Synonyms:methyl 1-aminocyclopropanecarboxylate;72784-43-1;Methyl 1-aminocyclopropane-1-carboxylate;MFCD00906963;Cyclopropanecarboxylic acid, 1-amino-, methyl ester;1-aminocyclopropanecarboxylic acid methyl ester;Methyl1-Aminocyclopropanecarboxylate;SCHEMBL231396;CHEMBL340553;DTXSID20370671;methyl aminocyclopropanecarboxylate;AMY40707;AKOS006230084;methy 1-aminocyclopropane-1-carboxylate;PD196542;SY003514;TS-01593;CS-0044090;FT-0653413;EN300-150085;1-Amino-cyclopropanecarboxylic acid methyl ester;1-amino-cyclopropanecarboxylic acid, methyl ester;Methyl 1-aminocyclopropanecarboxylate, AldrichCPR;A837618;J-521746

Chemical Property of Methyl 1-aminocyclopropanecarboxylate

Chemical Property:

• Vapor Pressure: 7.4mmHg at 25°C
• Refractive Index: 1.494
• Boiling Point: 136.4 °C at 760 mmHg
• PKA: 6.01±0.20(Predicted)
• Flash Point: 11.8 °C
• PSA: 52.32000
• Density: 1.188 g/cm³
• LogP: 0.35100
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1-aminocyclopropanecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CC1)N

Technology Process of Methyl 1-aminocyclopropanecarboxylate

There total 5 articles about Methyl 1-aminocyclopropanecarboxylate 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) + aminocyclopropane-1-carboxylic acid (22059-21-8) → methyl 1-aminocyclopropane-1-carboxylate (72784-43-1)

Guidance literature:

With thionyl chloride; at 0 ℃; Reflux;

Reference yield: 89.0%

1-(Benzhydrylidene-amino)-cyclopropanecarboxylic acid methyl ester (145618-70-8) → methyl 1-aminocyclopropane-1-carboxylate (72784-43-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; Ambient temperature;

DOI:10.1021/ja9807439

Reference yield:

methyl 1-aminocyclopropane-1-carboxylate hydrochloride (72784-42-0) → methyl 1-aminocyclopropane-1-carboxylate (72784-43-1)

Guidance literature:

With potassium carbonate; In diethyl ether; water; Yield given;

DOI:10.1021/jo00269a013

upstream raw materials:

methanol

aminocyclopropane-1-carboxylic acid

methyl 1-aminocyclopropane-1-carboxylate hydrochloride

1-(Benzhydrylidene-amino)-cyclopropanecarboxylic acid methyl ester

Downstream raw materials:

methyl 2-aminobutanoate

Methyl isobutyrate

2-amino-2-methylpropionic acid methyl ester

ethene

Refernces

• 1、 -. "MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF". Page/Page column 84. . Retrieved 2011/06/25.
• 2、 Wang, San-yong,Mao, Wei-wei,She, Zhi-gang,Li, Chun-rong,Yang, Ding-qiao,Lin, Yong-cheng,Fu, Li-wu. "Synthesis and biological evaluation of 12 allenic aromatic ethers". . p. 2785 - 2788. Retrieved 2008/02/05.