1-Carboxycyclopropanecarboxamide

Base Information

• Chemical Name: 1-Carboxycyclopropanecarboxamide
• CAS No.: 6914-74-5
• Molecular Formula: C5H7 N O3
• Molecular Weight: 129.115
• Hs Code.: 2924299090
• European Community (EC) Number: 624-642-1
• DSSTox Substance ID: DTXSID20369823
• Nikkaji Number: J1.765.232J
• Wikidata: Q72434115
• Mol file: 6914-74-5.mol

Synonyms:6914-74-5;1-Carboxycyclopropanecarboxamide;1-carbamoylcyclopropanecarboxylic acid;1-carbamoylcyclopropane-1-carboxylic Acid;1-(Aminocarbonyl)-1-cyclopropanecarboxylic acid;Cyclopropanecarboxylic acid, 1-(aminocarbonyl)-;Cyclopropane, 5;SCHEMBL612927;BDBM82144;DTXSID20369823;SDHXFKBMHSJXHA-UHFFFAOYSA-N;1-carbamoylcyclopropanecarboxylicacid;1-carboxycyclopropane-1-carboxamide;MFCD00190650;AKOS009157270;GG-0709;CS-0088462;FT-0636288;EN300-69070;E85392;1-(aminocarbonyl)-1-cyclopropan-carboxylic acid;1-(aminocarbonyl)-1-cyclopropane carboxylic acid;1-(aminocarbonyl)-1-cyclopropane-carboxylic acid;J-503482;1-(Aminocarbonyl)-1-cyclopropanecarboxylic acid, 97%;Z951182684

Chemical Property of 1-Carboxycyclopropanecarboxamide

Chemical Property:

• Vapor Pressure: 1.16E-08mmHg at 25°C
• Melting Point: 185 °C (dec.)(lit.)
• Refractive Index: 1.4220 (estimate)
• Boiling Point: 431.8°C at 760 mmHg
• PKA: 3.55±0.20(Predicted)
• Flash Point: 214.9°C
• PSA: 80.39000
• Density: 1.568g/cm³
• LogP: 0.03680
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 129.042593085
• Heavy Atom Count: 9
• Complexity: 171

Purity/Quality:

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

1-Carbamoylcyclopropane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC1(C(=O)N)C(=O)O

Technology Process of 1-Carboxycyclopropanecarboxamide

There total 8 articles about 1-Carboxycyclopropanecarboxamide 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: 89.0%

1-cyano-cyclopropanecarboxylic acid (6914-79-0) → 1-aminocarbonylcyclopropanecarboxylic acid (6914-74-5)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; at 20 ℃; for 2h; Cooling;

DOI:10.1016/j.tet.2013.02.021

Reference yield:

dimethyl 1,1-cyclopropanedicarboxylate (6914-71-2,151444-20-1) → aminocyclopropane-1-carboxylic acid (22059-21-8) + 1-aminocarbonylcyclopropanecarboxylic acid (6914-74-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide; ammonia; In methanol;

Reference yield:

diethyl cyclopropane-1,1-dicarboxylate (1559-02-0) + urea (57-13-6) → 1-aminocarbonylcyclopropanecarboxylic acid (6914-74-5)

Guidance literature:

With sodium ethanolate; at 105 ℃; im Autoklaven;

upstream raw materials:

Cyclopropan-1-carbonsaeureethylester-1-carbonsaeureamid

diethyl cyclopropane-1,1-dicarboxylate

urea

1-carbethoxy-1-cyanocyclopropane

Downstream raw materials:

α-amino-cyclopropanecarboxylic acid hydrochloride

1-{1-[(pyrrolidin-1-yl)methyl]cyclopropyl}methanamine

N¹-[3-({4-[(3-methylphenyl)amino]-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl}amino)propyl]-1,1-cyclopropanedicarboxamide

N₁-(2'-anilino-4,4'-bipyridin-2-yl)cyclopropane-1,1-dicarboxamide

Refernces

• 1、 -. "Process for the preparation of 1-aminocyclopropanecarboxylic acid hydrochloride". . . Retrieved 2008/06/13.