1-(2-Chloroethyl)-3-cyclohexylurea

Base Information

Chemical Name:1-(2-Chloroethyl)-3-cyclohexylurea
CAS No.:13908-11-7
Molecular Formula:C9H17ClN2O
Molecular Weight:204.7
Hs Code.:2924299090
NSC Number:80352
UNII:C001066WH2
DSSTox Substance ID:DTXSID70160887
Nikkaji Number:J599.913H
Wikidata:Q27274989
Mol file:13908-11-7.mol

Synonyms:1-(2-Chloroethyl)-3-cyclohexylurea;13908-11-7;N-(2-Chloroethyl)-N'-cyclohexylurea;1-Cyclohexyl-3-(2-chloroethyl)urea;NSC-80352;UNII-C001066WH2;Urea, N-(2-chloroethyl)-N'-cyclohexyl-;Lomustine specified impurity B [EP];C001066WH2;UREA,N-(2-CHLOROETHYL)-N'-CYCLOHEXYL-;Lomustine Imp. B (EP);Lomustine USP Related Compound B;Lomustine USP RC B;Lomustine Related Compound B;Lomustine Impurity B;NSC80352;SCHEMBL10254622;DTXSID70160887;BIOZXMXBLXQEBQ-UHFFFAOYSA-N;MFCD00043563;1-(2-chloroethyl)-3-cyclohexyl urea;AKOS005207302;LOMUSTINE IMPURITY B [EP IMPURITY];FT-0629124;Q27274989

Suppliers and Price of 1-(2-Chloroethyl)-3-cyclohexylurea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
LomustineRelatedCompoundB
1g
$ 165.00

Matrix Scientific
N-(2-Chloroethyl)-N'-cyclohexylurea
5g
$ 118.00

Matrix Scientific
N-(2-Chloroethyl)-N'-cyclohexylurea
50g
$ 856.00

American Custom Chemicals Corporation
1-CYCLOHEXYL-3-(2-CHLOROETHYL)UREA 95.00%
5G
$ 867.12

Total 18 raw suppliers

Chemical Property of 1-(2-Chloroethyl)-3-cyclohexylurea

Chemical Property:

Appearance/Colour:liquid
Melting Point:129℃
Boiling Point:382 °C at 760 mmHg
Flash Point:184.8 °C
PSA：41.13000
Density:1.11 g/cm³
LogP:2.63890
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:204.1029409
Heavy Atom Count:13
Complexity:158

Purity/Quality:

98%min ^*data from raw suppliers

LomustineRelatedCompoundB ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)NC(=O)NCCCl
Uses Lomustine Related Compound B acts as a reagent in the synthesis of lomustine by using triphosgene which is used for chemotherapy drugs, synthesis of N-nitrosoureas and N-nitrosothiourea as possible antitumor agents.

Technology Process of 1-(2-Chloroethyl)-3-cyclohexylurea

There total 8 articles about 1-(2-Chloroethyl)-3-cyclohexylurea 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: 91.7%

: 1943-83-5
2-chloroethyl isothiocyanate

: 108-91-8,157973-60-9
cyclohexylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Guidance literature:: With triethylamine; In tetrahydrofuran; at 50 ℃; for 0.0166667h; Solvent; Temperature; Time; Flow reactor;
DOI:10.1021/acs.oprd.8b00387

Reference yield: 68.6%

: 80672-61-3
N-cyclohexyl-carbamate de succinimidyle

: 689-98-5
chloroethylamine

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

Guidance literature:: Ambient temperature;
DOI:10.1016/S0040-4039(00)85958-4

Reference yield:

: 13010-47-4
1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea

: 1117-96-0
Diazoethan

: 13908-11-7
N-(2-chloroethyl)-N'-cyclohexylurea

: 64-17-5
ethanol

: 108-91-8,157973-60-9
cyclohexylamine

: 75-04-7,85404-22-4
ethylamine

: 2-chlorodiazomethane

Guidance literature:: With potassium hydroxide; aluminum nickel; In methanol; Product distribution; Mechanism; degradation under various conditions (HBr in glac. CH₃CO₂H) with preparation of nonmutagenic reaction mixtures of products;
DOI:10.1002/jps.2600780811