Hexane-1,6-diylbis(methylcarbamic chloride)

Base Information

• Chemical Name: Hexane-1,6-diylbis(methylcarbamic chloride)
• CAS No.: 99191-71-6
• Molecular Formula: C10H18Cl2N2O2
• Molecular Weight: 269.171
• DSSTox Substance ID: DTXSID801257555
• Nikkaji Number: J3.352.008E
• Mol file: 99191-71-6.mol

Synonyms:99191-71-6;Hexane-1,6-diylbis(methylcarbamic chloride);N,N'-dimethyl-N,N'-hexanediyl-bis-carbamoyl chloride;CID 14423477;N-[6-[Carbonochloridoyl(methyl)amino]hexyl]-N-methylcarbamoyl chloride;1,6-Hexanediylbis[methylcarbamic chloride];DTXSID801257555;BCP22047;Carbamic chloride, 1,6-hexanediylbis[methyl-

Chemical Property of Hexane-1,6-diylbis(methylcarbamic chloride)

Chemical Property:

• Boiling Point: 402.9±28.0 °C(Predicted)
• PKA: -1.57±0.70(Predicted)
• PSA: 40.62000
• Density: 1.195
• LogP: 3.12800
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 268.0745332
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCCCCCN(C)C(=O)Cl)C(=O)Cl

Technology Process of Hexane-1,6-diylbis(methylcarbamic chloride)

There total 2 articles about Hexane-1,6-diylbis(methylcarbamic chloride) 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:

phosgene (75-44-5) + N,N,N',N'-tetramethylhexamethylenediamine (111-18-2) → N,N'-dimethyl-N,N'-hexanediyl-bis-carbamoyl chloride (99191-71-6)

Guidance literature:

In toluene; at 60 ℃;

Reference yield:

phosgene (75-44-5) + N,N'-dimethyl-1,6-hexanediamine (13093-04-4) → N,N'-dimethyl-N,N'-hexanediyl-bis-carbamoyl chloride (99191-71-6)

Guidance literature:

With n-butyllithium; Multistep reaction;

DOI:10.1021/jm00121a041

Reference yield:

N,N'-dimethyl-N,N'-hexanediyl-bis-carbamoyl chloride (99191-71-6) → BC 51 (15876-67-2)

Guidance literature:

With xylene; at 80 ℃; Behandeln einer Loesung des Reaktionsprodukts in Aceton mit Methylbromid;

upstream raw materials:

phosgene

N,N,N',N'-tetramethylhexamethylenediamine

N,N'-dimethyl-1,6-hexanediamine

Downstream raw materials:

N,N'-dimethyl-N,N'-hexanediyl-bis-carbamic acid bis-(3-dimethylamino-phenyl ester)

N,N''-1,6-(hexanediyl)bis[N'-cyclohexyl-N'-[(cyclohexylimino)(4-morpholinyl)methyl]-N-methylurea]

BC 51

Methyl-{6-[methyl-(pyridin-3-yloxycarbonyl)-amino]-hexyl}-carbamic acid pyridin-3-yl ester