Thiourea, N'-cyclohexyl-N-methyl-N-nitroso-

Base Information

• Chemical Name: Thiourea, N'-cyclohexyl-N-methyl-N-nitroso-
• CAS No.: 79645-02-6
• Molecular Formula: C8H15N3OS
• Molecular Weight: 201.293
• DSSTox Substance ID: DTXSID70229822
• Wikidata: Q83110175
• Mol file: 79645-02-6.mol

Synonyms:ICIG 1778;79645-02-6;Thiourea, N'-cyclohexyl-N-methyl-N-nitroso-;BRN 4678266;N'-Cyclohexyl-N-methyl-N-nitrosothiourea;C8H15N3OS;Methyl-1 nitroso-1 cyclohexyl-3 thio-2 uree [French];Methyl-1 nitroso-1 cyclohexyl-3 thio-2 uree;DTXSID70229822;C8-H15-N3-O-S;LS-153495

Chemical Property of Thiourea, N'-cyclohexyl-N-methyl-N-nitroso-

Chemical Property:

• Vapor Pressure: 0.00629mmHg at 25°C
• Boiling Point: 271.9°Cat760mmHg
• Flash Point: 118.2°C
• Density: 1.27g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.09358328
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C(=S)NC1CCCCC1)N=O

Technology Process of Thiourea, N'-cyclohexyl-N-methyl-N-nitroso-

There total 4 articles about Thiourea, N'-cyclohexyl-N-methyl-N-nitroso- 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: 90.0%

methyl-1 cyclohexyl-3 thio-2 uree (13120-04-2) → N3-cyclohexyl-N1-methyl-N1-nitrosothiourea (79645-02-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; In dichloromethane; at -10 - -5 ℃; for 1h;

DOI:10.1021/jo00152a019

Reference yield:

methyl-1 cyclohexyl-3 thio-2 uree (13120-04-2) → N-Methyl-N'-cyclohexyl-N-nitrosourea (16813-38-0) + N3-cyclohexyl-N1-methyl-N1-nitrosothiourea (79645-02-6)

Guidance literature:

With nitrosylchloride; In pyridine; dichloromethane; at 0 ℃; for 2h; Yield given. Yields of byproduct given;

Reference yield:

isothiocyanatocyclohexane (1122-82-3) → N3-cyclohexyl-N1-methyl-N1-nitrosothiourea (79645-02-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / H₂O / 4 h / Ambient temperature

2: 90 percent / nitrosyl chloride / pyridine; CH₂Cl₂ / 2 h / -20 °C

With nitrosylchloride; In pyridine; dichloromethane; water;

upstream raw materials:

methyl-1 cyclohexyl-3 thio-2 uree

cyclohexylamine

isothiocyanatocyclohexane

Downstream raw materials:

methyl-1 cyclohexyl-3 thio-2 uree

1-cyclohexyl-3-methylurea

isothiocyanatocyclohexane

Refernces

• 1、 Isobe. "ACID CATALYSIS OF THE DENITROSATION OF N-METHYL-N prime -CYCLOHEXYL-N-NITROSOTHIOUREA.". . p. 601 - 602. Retrieved 2007/10/02.
• 2、 Oiry,Martinez,Imbach,Winternitz. "Nitrosoureas series: isomer of 1-(2-chloroethyl) 3-cyclohexyl-1-nitrosourea (CCNU) and nitrosothioureas". . p. 539 - 543. Retrieved 2007/10/02.