CHEMBRDG-BB 4302234

Base Information

• Chemical Name: CHEMBRDG-BB 4302234
• CAS No.: 6250-80-2
• Molecular Formula: C9H13NO
• Molecular Weight: 151.2056
• Hs Code.: 2933990090
• Mol file: 6250-80-2.mol

Synonyms:4-ethyl-3,5-dimethylpyrrole-2-carboxaldehyde;4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde;4-ethyl-2-formyl-3,5-dimethyl-1H-pyrrole;1H-Pyrrole-2-carboxaldehyde,4-ethyl-3,5-dimethyl;2,4-dimethyl-3-ethylpyrrole-5-carboxaldehyde;4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde;3,5-dimethyl-4-ethyl-2-formyl-1H-pyrrole;

Chemical Property of CHEMBRDG-BB 4302234

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Boiling Point: 262.3°Cat760mmHg
• Flash Point: 119.4°C
• PSA: 32.86000
• Density: 1.044g/cm³
• LogP: 2.00640

Purity/Quality:

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

4-Ethyl-3,5-dimethyl-1H-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CHEMBRDG-BB 4302234

There total 14 articles about CHEMBRDG-BB 4302234 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: 85.0%

2,4-dimethyl-3-ethyl-pyrrole (517-22-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde (6250-80-2)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 0 - 20 ℃; Inert atmosphere;

2,4-dimethyl-3-ethyl-pyrrole; In 1,2-dichloro-ethane; at 0 ℃; for 0.833333h; Reflux;

With water; sodium acetate; In 1,2-dichloro-ethane; for 0.5h; Reflux;

DOI:10.1039/b810503k

Reference yield:

ethyl 3,5-dimethyl-4-ethylpyrrole-2-carboxylate (2199-47-5) → 4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde (6250-80-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / NaOH / ethane-1,2-diol / 1 h / Heating

2: 75 percent / PhCOCl / 0 - 20 °C

With sodium hydroxide; benzoyl chloride; In ethylene glycol;

DOI:10.1016/j.tet.2005.09.105

Reference yield:

benzyl 4-ethyl-3,5-dimethylpyrrole-2-carboxylate (1925-61-7) → 4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde (6250-80-2)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂, triethylamine / 10percent Pd/C / ethanol / 2 h

2: 100 - 102 °C / 20 - 22 Torr

3: 1.76 g / phosphoryl chloride / diethyl ether / -78 °C

With hydrogen; triethylamine; trichlorophosphate; palladium on activated charcoal; In diethyl ether; ethanol;

upstream raw materials:

2,4-dimethyl-3-ethyl-pyrrole

N,N-dimethyl-formamide

4-ethyl-3,5-dimethyl-pyrrole-2-carboxylic acid tert-butyl ester

(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-ylmethylene)-dimethyl-ammonium; chloride

Downstream raw materials:

1-[3,5-Dimethyl-pyrrol-(2Z)-ylidenemethyl]-3-{3-ethyl-5-[4-ethyl-3,5-dimethyl-pyrrol-(2Z)-ylidenemethyl]-4-methyl-1H-pyrrol-2-ylmethyl}-4,5,6,7-tetrahydro-2H-isoindole; hydrobromide

3-{3-Ethyl-5-[4-ethyl-3,5-dimethyl-pyrrol-(2Z)-ylidenemethyl]-4-methyl-1H-pyrrol-2-ylmethyl}-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylic acid benzyl ester; hydrobromide

5-(benzyloxycarbonyl)-5'-(2,2-dicyanovinyl)-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrromethane

5-(benzyloxycarbonyl)-5'-<2-cyano-2-(methoxycarbonyl)vinyl>-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrromethane

Refernces

• 1、 Kim, Min Joon,Gaube, Sophie M.,Beh, Michael H. R.,Smith, Craig D.,Thompson, Alison. "Synthesis and reactivity of 2-thionoester pyrroles: A route to 2-formyl pyrroles". . p. 31773 - 31780. Retrieved 2019/10/19.
• 2、 Lash, Timothy D.,Chen, Shaohua. "Syntheses of per-15N labeled etioporphyrins I-IV and a related tetrahydrobenzoporphyrin for applications in organic geochemistry and vibrational spectroscopy". . p. 11577 - 11600. Retrieved 2007/10/03.