Carbamic acid, 1,6-hexanediylbis-, diethyl ester

Base Information

• Chemical Name: Carbamic acid, 1,6-hexanediylbis-, diethyl ester
• CAS No.: 3066-65-7
• Deprecated CAS: 79787-64-7,1081804-56-9
• Molecular Formula: C12H24 N2 O4
• Molecular Weight: 260.334
• NSC Number: 26300
• DSSTox Substance ID: DTXSID60952915
• Nikkaji Number: J802.271B
• Wikidata: Q82931633
• Mol file: 3066-65-7.mol

Synonyms:3066-65-7;ethyl N-[6-(ethoxycarbonylamino)hexyl]carbamate;Carbamic acid, 1,6-hexanediylbis-, diethyl ester;Carbamic acid, N,N'-1,6-hexanediylbis-, C,C'-diethyl ester;DIETHYL HEXAMETHYLENEDICARBAMATE;Ethyl hexamethylenedicarbamate;1,6-bis-(ethoxycarbonylamino)-hexane;hexamethylene diurethane;SCHEMBL1023071;DTXSID60952915;Diethyl hexane-1,6-diyldicarbamate;NSC26300;NSC 26300;NSC-26300;AKOS003622888;CS-0450776;N,N'-Bis(ethoxycarbonyl)-1,6-hexanediamine;Diethyl hexane-1,6-diylbis(hydrogen carbonimidate)

Chemical Property of Carbamic acid, 1,6-hexanediylbis-, diethyl ester

Chemical Property:

• Vapor Pressure: 7.38E-07mmHg at 25°C
• Boiling Point: 407.7°C at 760 mmHg
• Flash Point: 200.4°C
• Density: 1.036g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 260.17360725
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NCCCCCCNC(=O)OCC

Technology Process of Carbamic acid, 1,6-hexanediylbis-, diethyl ester

There total 16 articles about Carbamic acid, 1,6-hexanediylbis-, diethyl ester 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: 98.0%

1,6-Hexanediamine (124-09-4) + ethanol (64-17-5) + urethane (51-79-6) → 1,6-bis-(ethoxycarbonylamino)-hexane (3066-65-7,79787-64-7)

Guidance literature:

With 5.1 wt% Ni/Fe3O4; at 190 ℃; for 5h; under 11251.1 - 16501.7 Torr; Autoclave; Inert atmosphere;

DOI:10.1016/j.jcat.2011.01.030

Reference yield: 92.0%

N-phenyl-O-methyl urethane (60458-04-0) + N,N'-hexanediyl-bis-carbamic acid dicyclohexyl ester (3066-64-6) → 1,6-bis-(ethoxycarbonylamino)-hexane (3066-65-7,79787-64-7)

Guidance literature:

In ethanol; water; cyclohexanol;

Reference yield: 89.0%

1,6-Hexanediamine (124-09-4) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → 1,6-bis-(ethoxycarbonylamino)-hexane (3066-65-7,79787-64-7)

Guidance literature:

With oxygen; tertamethylammonium iodide; palladium; at 160 - 170 ℃; for 2h;

DOI:10.1039/c39840000399

upstream raw materials:

ethanol

1,6-Hexanediamine

chloroformic acid ethyl ester

carbon monoxide

Downstream raw materials:

5,6,5',6'-tetraphenyl-3,3'-hexane-1,6-diyl-bis-[1,3]oxazine-2,4-dione

N,N'-bis-(3-oxo-2,3-diphenyl-propionyl)-N,N'-hexane-1,6-diyl-bis-carbamic acid diethyl ester

Hexamethylen-di-(N-nitrosoharnstoff)

N,N'-dinitro-N,N'-hexanediyl-bis-carbamic acid diethyl ester

Refernces

• 1、 Wang, Peixue,Ma, Yubo,Liu, Shimin,Zhou, Feng,Yang, Benqun,Deng, Youquan. "N-Substituted carbamate synthesis using urea as carbonyl source over TiO2-Cr2O3/SiO2 catalyst". . p. 3964 - 3971. Retrieved 2015/07/15.
• 2、 Shang, Jianpeng,Guo, Xiaoguang,Shi, Feng,Ma, Yubo,Zhou, Feng,Deng, Youquan. "N-substituted carbamates syntheses with alkyl carbamates as carbonyl source over Ni-promoted Fe3O4 catalyst". experimental part. p. 328 - 336. Retrieved 2011/05/14.