Cyclohexylamine, N-(2-oxazolin-2-yl)-

Base Information

• Chemical Name: Cyclohexylamine, N-(2-oxazolin-2-yl)-
• CAS No.: 10002-37-6
• Molecular Formula: C9H16 N2 O
• Molecular Weight: 168.239
• NSC Number: 160005
• UNII: ETZ3XJ6G4F
• DSSTox Substance ID: DTXSID90142867
• Nikkaji Number: J77.889C
• Wikidata: Q83006437
• ChEMBL ID: CHEMBL2135195
• Mol file: 10002-37-6.mol

Synonyms:2-(cyclohexylamino)-2-oxazoline;10002-37-6;Cyclohexylamine, N-(2-oxazolin-2-yl)-;ETZ3XJ6G4F;MLS003106518;NSC-160005;2-Cyclohexylamino-2-oxazoline;N-(2-Oxazolin-2-yl)cyclohexylamine;NSC 160005;BRN 0124395;Oxazole, 4,5-dihydro-2-cyclohexylamino-;NSC160005;UNII-ETZ3XJ6G4F;CHEMBL2135195;SCHEMBL11689434;DTXSID90142867;2-Oxazoline, 2-(cyclohexylamino)-;SMR001821417;2-Oxazolamine, N-cyclohexyl-4,5-dihydro-

Chemical Property of Cyclohexylamine, N-(2-oxazolin-2-yl)-

Chemical Property:

• Vapor Pressure: 0.000103mmHg at 25°C
• Boiling Point: 337.6°C at 760 mmHg
• Flash Point: 158°C
• Density: 1.23g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.126263138
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=NCCO2

Technology Process of Cyclohexylamine, N-(2-oxazolin-2-yl)-

There total 4 articles about Cyclohexylamine, N-(2-oxazolin-2-yl)- 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: 80.0%

N-(2-chloroethyl)-N'-cyclohexylurea (13908-11-7) → 2-(cyclohexylamino)-2-oxazoline (10002-37-6)

Guidance literature:

In water; Heating;

DOI:10.1021/jm00135a007

Reference yield:

2-(cyclohexylimino)-3-nitroso-2-oxazolidine (76310-06-0) → dimethylenecyclourethane (497-25-6) + 2-(cyclohexylamino)-2-oxazoline (10002-37-6) + 2-hydroxyethyl N-cyclohexylcarbamate (13027-13-9) + 3-cyclohexyl-1-(2-hydroxyethyl) urea (66929-46-2) + acetaldehyde (75-07-0,9002-91-9) + 1,3-Dicyclohexylurea (2387-23-7)

Guidance literature:

With phosphate buffer; at 37 ℃; for 12h; Product distribution; other 2-(alkylimino)-3-nitroso-2-oxazolidines; also decomp. of 3-cyclohexyl-1-(2-hydroxyethyl)-1-nitrosourea; also in NaCl sat. sol.; pH 7.2;

DOI:10.1021/jm00135a007

Reference yield:

N3-cyclohexyl-N1-(2-hydroxyethyl)-N1-nitrosothiourea (84056-92-8) → 2-(cyclohexylamino)-2-oxazoline (10002-37-6) + 2-hydroxyethyl N-cyclohexylcarbamate (13027-13-9) + 3-cyclohexyl-1-(2-hydroxyethyl) urea (66929-46-2) + 2-hydroxyethyl-N-cyclohexylthionocarbamate (87191-82-0)

Guidance literature:

With potassium phosphate buffer; at 37 ℃; for 12h; Further byproducts given;

DOI:10.1021/jo00170a006

upstream raw materials:

N-(2-chloroethyl)-N'-cyclohexylurea

2-(cyclohexylimino)-3-nitroso-2-oxazolidine

N₃-cyclohexyl-N₁-(2-hydroxyethyl)-N₁-nitrosothiourea

Downstream raw materials:

2-(cyclohexylimino)-3-nitroso-2-oxazolidine

C₉H₁₅N₃O₂

1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea

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