ISOTHIAZOLE-5-CARBALDEHYDE

Base Information

• Chemical Name: ISOTHIAZOLE-5-CARBALDEHYDE
• CAS No.: 5242-57-9
• Molecular Formula: C₄H₃NOS
• Molecular Weight: 113.14
• Hs Code.: 2934999090
• Mol file: 5242-57-9.mol

Synonyms:5-Formylisothiazole

Chemical Property of ISOTHIAZOLE-5-CARBALDEHYDE

Chemical Property:

• Vapor Pressure: 36.3mmHg at 25°C
• Boiling Point: 100.7 °C at 760 mmHg
• Flash Point: 14.7 °C
• PSA: 58.20000
• Density: 1.35 g/cm³
• LogP: 0.95560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

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

Isothiazole-5-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ISOTHIAZOLE-5-CARBALDEHYDE

There total 4 articles about ISOTHIAZOLE-5-CARBALDEHYDE 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: 73.0%

isothiazol (288-16-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → isothiazole-5-carboxaldehyde (5242-57-9)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

DOI:10.1016/S0960-894X(02)00948-4

Reference yield:

isothiazole diethyl acetal (1285097-74-6) → isothiazole-5-carboxaldehyde (5242-57-9)

Guidance literature:

toluene-4-sulfonic acid; In acetone; for 1h; Heating / reflux;

Reference yield:

isothiazol-5-yllithium (91314-28-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → isothiazole-5-carboxaldehyde (5242-57-9)

Guidance literature:

DOI:10.1021/jm00300a043

upstream raw materials:

isothiazol-5-yllithium

N,N-dimethyl-formamide

isothiazol

isothiazole diethyl acetal

Downstream raw materials:

5-Hydroxymethyl-isothiazol

5-Isothiazol-5-yl-2-((E)-2-methyl-3-{(2S,3S,4R,5S)-5-[(2S,3S)-3-((1R,2S)-1-methyl-2-trimethylsilanyloxy-propyl)-oxiranylmethyl]-3,4-bis-trimethylsilanyloxy-tetrahydro-pyran-2-yl}-propenyl)-4-(toluene-4-sulfonyl)-4,5-dihydro-oxazole

Refernces

• 1、 Kang, Yong Koo,Lee, Kyung Seok,Yoo, Kyung Ho,Shin, Kye Jung,Kim, Dong Chan,Lee, Chang-Seok,Kong, Jae Yang,Kim, Dong Jin. "Synthesis and biological evaluation of novel 1β-methylcarbapenems with isothiazoloethenyl side chains". . p. 463 - 466. Retrieved 2007/10/03.