SEC-BUTYL ISOCYANATE 98

Base Information

• Chemical Name: SEC-BUTYL ISOCYANATE 98
• CAS No.: 15585-98-5
• Molecular Formula: C₅H₉NO
• Molecular Weight: 99.1326
• Hs Code.: 2929109000
• Mol file: 15585-98-5.mol

Synonyms:Isocyanicacid, sec-butyl ester (6CI,7CI,8CI); 2-Isocyanatobutane; Butan-2-yl isocyanate;Secondary butyl isocyanate; sec-Butyl isocyanate

Chemical Property of SEC-BUTYL ISOCYANATE 98

Chemical Property:

• Vapor Pressure: 1.87 psi ( 20 °C)
• Refractive Index: n20/D 1.4(lit.)
• Boiling Point: 101 °C(lit.)
• Flash Point: 38 °F
• PSA: 29.43000
• Density: 0.864 g/mL at 25 °C(lit.)
• LogP: 1.12070

Purity/Quality:

98%min ^*data from raw suppliers

2-Isocyanatobutane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T+
• Statements: 11-14-22-26-34-37-42
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Isocyanatobutane is used in preparation of Quinazolinedione fragment-containing compounds as herbicides.

Technology Process of SEC-BUTYL ISOCYANATE 98

There total 6 articles about SEC-BUTYL ISOCYANATE 98 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: 56.0%

C8H19NO2Si (89029-20-9) → sec-butyl isocyanate (86217-79-0,15585-98-5)

Guidance literature:

With trichloro(phenyl)silane; at 200 ℃;

DOI:10.1134/S1070363206030182

Reference yield:

SEC-BUTYLAMINE (33966-50-6) + trichloromethyl chloroformate (503-38-8) → sec-butyl isocyanate (86217-79-0,15585-98-5)

Guidance literature:

With pyrographite; In ethyl acetate; for 5h; Heating;

DOI:10.1021/jm9804376

Reference yield:

phosgene (75-44-5) + SEC-BUTYLAMINE (33966-50-6) → sec-butyl isocyanate (86217-79-0,15585-98-5)

Guidance literature:

at 275 ℃; Erhitzen des erhaltenen sec-Butylcarbamoylchlorids mit N,N-Dimethyl-anilin;

DOI:10.1021/ja01161a009

upstream raw materials:

phosgene

SEC-BUTYLAMINE

sec-butylamine hydrochloride

trichloromethyl chloroformate

Downstream raw materials:

C₁₅H₂₁N₃O₄

C₁₆H₂₃N₃O₄

C₁₇H₂₅N₃O₄

C₁₇H₂₅N₃O₄

Refernces

• 1、 ?azewska, Dorota,Wiecek, Ma?gorzata,Ligneau, Xavier,Kottke, Tim,Weizel, Lilia,Seifert, Roland,Schunack, Walter,Stark, Holger,Kie?-Kononowicz, Katarzyna. "Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates". scheme or table. p. 6682 - 6685. Retrieved 2010/06/16.
• 2、 Sasse, Astrid,Kiec-Kononowicz, Katarzyna,Stark, Holger,Motyl, Malgorzata,Reidemeister, Sibylle,Ganellin, C. Robin,Ligneau, Xavier,Schwartz, Jean-Charles,Schunack, Walter. "Development of chiral N-alkylcarbamates as new leads for potent and selective H3-receptor antagonists: Synthesis, capillary electrophoresis, and in vitro and oral in vivo activity". . p. 593 - 600. Retrieved 2007/10/03.