N-(4-Bromophenethyl)isobutyramide

Base Information

• Chemical Name: N-(4-Bromophenethyl)isobutyramide
• CAS No.: 304664-15-1
• Molecular Formula: C₁₂H₁₆BrNO
• Molecular Weight: 270.169
• DSSTox Substance ID: DTXSID00395741
• Wikidata: Q82195984
• Mol file: 304664-15-1.mol

Synonyms:N-(4-Bromophenethyl)isobutyramide;304664-15-1;N-[2-(4-bromophenyl)ethyl]-2-methylpropanamide;N-(2-(4-BROMO-PHENYL)-ETHYL)-ISOBUTYRAMIDE;DTXSID00395741;AB8427;MFCD01325779;AKOS024325975;DS-10285;CS-0154968;A1-14760;Propanamide, N-[2-(4-bromophenyl)ethyl]-2-methyl-

Chemical Property of N-(4-Bromophenethyl)isobutyramide

Chemical Property:

• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 269.04153
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Bromophenethyl)isobutyramide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=O)NCCC1=CC=C(C=C1)Br

Technology Process of N-(4-Bromophenethyl)isobutyramide

There total 1 articles about N-(4-Bromophenethyl)isobutyramide 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:

4-Bromophenethylamine (73918-56-6) + isobutyryl chloride (79-30-1) → N-[2-(4-bromo-phenyl)-ethyl]-isobutyramide (304664-15-1)

Guidance literature:

With triethylamine;

DOI:10.1016/j.bmcl.2004.10.026

Reference yield:

N-[2-(4-bromo-phenyl)-ethyl]-isobutyramide (304664-15-1) → 1-isopropyl-3,4-dihydro-7-isoquinolinecarbaldehyde (371220-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: (COCl)2; FeCl₃ / CHCl₃

1.2: HCl

2.1: n-BuLi / tetrahydrofuran / -78 °C

With n-butyllithium; oxalyl dichloride; iron(III) chloride; In tetrahydrofuran; chloroform;

DOI:10.1016/j.bmcl.2004.10.026

Reference yield:

N-[2-(4-bromo-phenyl)-ethyl]-isobutyramide (304664-15-1) → 7-bromo-1-isopropyl-3,4-dihydroisoquinoline (371220-28-9)

Guidance literature:

N-[2-(4-bromo-phenyl)-ethyl]-isobutyramide; With oxalyl dichloride; iron(III) chloride; In chloroform;

With hydrogenchloride;

DOI:10.1016/j.bmcl.2004.10.026

upstream raw materials:

4-Bromophenethylamine

isobutyryl chloride

Downstream raw materials:

7-bromo-1-isopropyl-3,4-dihydroisoquinoline

1-isopropyl-3,4-dihydro-7-isoquinolinecarbaldehyde

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