Diisopropylcarbamoyl chloride

Base Information

• Chemical Name: Diisopropylcarbamoyl chloride
• CAS No.: 19009-39-3
• Molecular Formula: C7H14ClNO
• Molecular Weight: 163.647
• Hs Code.: 2903199000
• European Community (EC) Number: 242-743-5
• UNII: 8XK9CS659M
• DSSTox Substance ID: DTXSID60172474
• Nikkaji Number: J224.829H
• Wikidata: Q72467387
• Mol file: 19009-39-3.mol

Synonyms:Diisopropylcarbamoyl chloride;19009-39-3;N,N-Diisopropylcarbamoyl chloride;diisopropylcarbamic chloride;N,N-di(propan-2-yl)carbamoyl chloride;DIISOPROPYLCARBAMYL CHLORIDE;8XK9CS659M;EINECS 242-743-5;Carbamic chloride, N,N-bis(1-methylethyl)-;DIISOPROPYLCARBAMOYLCHLORIDE;diisopropyl carbamyl chloride;UNII-8XK9CS659M;di-i-propylcarbamoyl chloride;N,N-Diisopropylchloroformamide;SCHEMBL196002;N,N-diisopropylcarbamoylchloride;N,N-diisopropylcarbamic chloride;DTXSID60172474;N,N-diisopropyl carbamoyl chloride;MFCD00015013;AKOS024319040;Carbamic chloride, bis(1-methylethyl)-;N,N-bis(propan-2-yl)carbamoyl chloride;N,N-Diisopropylcarbamoyl chloride, 98%;BP-13024;BS-21962;D4150;FT-0625008;D90257;N,N-BIS(1-METHYLETHYL)CARBAMIC CHLORIDE;EN300-6739664;J-640326;J-800329

Chemical Property of Diisopropylcarbamoyl chloride

Chemical Property:

• Vapor Pressure: 0.265mmHg at 25°C
• Melting Point: 57-59 °C
• Refractive Index: 1.448
• Boiling Point: 204.3 °C at 760 mmHg
• PKA: -1.97±0.70(Predicted)
• Flash Point: 82.4 °C
• PSA: 20.31000
• Density: 1.019 g/cm³
• LogP: 2.46400
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 163.0763918
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

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

Diisopropylcarbamoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)N(C(C)C)C(=O)Cl
• Uses: N,N-Diisopropylcarbamoyl chloride may be used in the preparation of:1-aryl-1-alkenyl N,N-diisopropylcarbamates1,3-diphenylallyl carbamate(Z)-1,3-diphenyl-1-propenyl N,N-diisopropylcarbamate(R)-1-(2-methoxy-4-methylphenyl)ethyl diisopropyl-carbamate

Technology Process of Diisopropylcarbamoyl chloride

There total 8 articles about Diisopropylcarbamoyl 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: 100.0%

→ N,N-diisopropylcarbamoyl chloride (19009-39-3)

Guidance literature:

Reference yield: 88.65%

tetraisopropylothiuram disulphide (4136-91-8) → N,N-diisopropylcarbamoyl chloride (19009-39-3)

Guidance literature:

tetraisopropylothiuram disulphide; With chlorine; In dichloromethane; at 24 - 26 ℃; for 7.16667h; Cooling with ice;

With water; sodium hydrogencarbonate; In dichloromethane; Cooling with ice;

DOI:10.1080/00397910903537331

Reference yield: 85.0%

phosgene (75-44-5) + diisopropylamine (108-18-9) → N,N-diisopropylcarbamoyl chloride (19009-39-3)

Guidance literature:

In toluene;

upstream raw materials:

phosgene

diisopropylamine

N,N-diisorpopylformamide

ethyl diisopropylcarbamate

Downstream raw materials:

diisopropylnitramine

α-hydroxy-N,N-bis(1-methylethyl)benzeneacetamide

Diisopropyl-carbamic acid 3,4,6-trichloro-2-iodo-phenyl ester

Diisopropyl-carbamic acid 2-bromo-3,4,6-trichloro-phenyl ester

Refernces

• 1、 Patel, Jayendra Z.,Nevalainen, Tapio J.,Savinainen, Juha R.,Adams, Yahaya,Laitinen, Tuomo,Runyon, Robert S.,Vaara, Miia,Ahenkorah, Stephen,Kaczor, Agnieszka A.,Navia-Paldanius, Dina,Gynther, Mikko,Aaltonen, Niina,Joharapurkar, Amit A.,Jain, Mukul R.,Haka, Abigail S.,Maxfield, Frederick R.,Laitinen, Jarmo T.,Parkkari, Teija. "Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors". . p. 253 - 265. Retrieved 2015/02/05.
• 2、 Shi, Zhi-Hao,Li, Nian-Guang,Shi, Qian-Ping,Zhang, Wei,Dong, Ze-Xi,Tang, Yu-Ping,Zhang, Peng-Xuan,Gu, Ting,Wu, Wen-Yu,Fang, Fang,Xin-Xue,Li, He-Min,Yang, Jian-Ping,Duan, Jin-Ao. "Synthesis of scutellarein derivatives to increase biological activity and water solubility". . p. 6875 - 6884. Retrieved 2015/11/11.