Cimemoxin

Base Information

• Chemical Name: Cimemoxin
• CAS No.: 3788-16-7
• Molecular Formula: C7H16 N2
• Molecular Weight: 128.217
• Hs Code.: 2928000090
• UNII: 584QS921R2
• DSSTox Substance ID: DTXSID30191314
• Nikkaji Number: J2.361.834F
• Wikipedia: Cimemoxin
• Wikidata: Q5120121
• NCI Thesaurus Code: C77521
• ChEMBL ID: CHEMBL2106052
• Mol file: 3788-16-7.mol

Synonyms:Cimemoxin;(Cyclohexylmethyl)hydrazine;3788-16-7;CYCLOHEXYLMETHYL-HYDRAZINE;cyclohexylmethylhydrazine;Hydrazine, (cyclohexylmethyl)-;Cimemoxina;Cimemoxin [INN:DCF];Cimemoxine;Cimemoxinum;Cimemoxine [INN-French];Cimemoxinum [INN-Latin];Cimemoxina [INN-Spanish];SD 286-03;BRN 2070921;UNII-584QS921R2;584QS921R2;SD-286-03;Cimemoxin [DCF:INN];(CyclohexYl-Methyl)Hydrazine Hydrochloride;CIMEMOXIN [INN];cyclohexyl methylhydrazine;SCHEMBL2108333;CHEMBL2106052;DTXSID30191314;AKOS000148650;SB36927;LS-76706;CS-0271625;EN300-41105;SR-01000944971;Q5120121;SR-01000944971-1

Chemical Property of Cimemoxin

Chemical Property:

• Vapor Pressure: 0.0456mmHg at 25°C
• Boiling Point: 237.1°Cat760mmHg
• PKA: 8?+-.0.70(Predicted)
• Flash Point: 111.1°C
• PSA: 38.05000
• Density: 0.915g/cm³
• LogP: 2.12120
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.131348519
• Heavy Atom Count: 9
• Complexity: 67.3

Purity/Quality:

98% ^*data from raw suppliers

Cyclohexylmethyl-hydrazine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CNN

Technology Process of Cimemoxin

There total 7 articles about Cimemoxin 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:

N-1-(tert-butoxycarbonyl)-N-2-(cyclohexylmethyl)hydrazine (149267-56-1) → 1-(cyclohexylmethyl)hydrazine (3788-16-7)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1021/jm030276s

Reference yield:

cyclohexanecarbaldehyde (2043-61-0) → 1-(cyclohexylmethyl)hydrazine (3788-16-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / methanol / 20 °C

2: 100 percent / sodium cyanoborohydride; aq. acetic acid / 20 °C

3: trifluoroacetic acid / CH₂Cl₂ / 20 °C

With sodium cyanoborohydride; acetic acid; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1021/jm030276s

Reference yield:

N-((1Z)-1-aza-2-cyclohexylvinyl)(tert-butoxy)carboxamide (654058-77-2) → 1-(cyclohexylmethyl)hydrazine (3788-16-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / sodium cyanoborohydride; aq. acetic acid / 20 °C

2: trifluoroacetic acid / CH₂Cl₂ / 20 °C

With sodium cyanoborohydride; acetic acid; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm030276s

upstream raw materials:

N-Acetyl-N'-hexahydrobenzylhydrazin

N-1-(tert-butoxycarbonyl)-N-2-(cyclohexylmethyl)hydrazine

cyclohexanecarbaldehyde

N-((1Z)-1-aza-2-cyclohexylvinyl)(tert-butoxy)carboxamide

Downstream raw materials:

C₁₁H₁₉N₃

ethyl 5-(4-(N-(tert-butyl)sulfamoyl)-2,3-dichlorophenyl)-1-(cyclohexylmethyl)-1H-pyrazole-3-carboxylate

3-[1-cyclohexylmethyl-5-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-yl]-propan-1-ol

1-(3-((1E)-3-hydroxyprop-1-enyl)1-(cyclohexylmethyl)pyrazol-5-yl)-4-(methylsulfonyl)benzene

Refernces

• 1、 Ranatunge, Ramani R.,Augustyniak, Michael,Bandarage, Upul K.,Earl, Richard A.,Ellis, James L.,Garvey, David S.,Janero, David R.,Letts, L. Gordon,Martino, Allison M.,Murty, Madhavi G.,Richardson, Stewart K.,Schroeder, Joseph D.,Shumway, Matthew J.,Tam, S. William,Trocha, A. Mark,Young, Delano V.. "Synthesis and Selective Cyclooxygenase-2 Inhibitory Activity of a Series of Novel, Nitric Oxide Donor-Containing Pyrazoles". . p. 2180 - 2193. Retrieved 2007/10/03.