N-(4-butylphenyl)-2-chloroacetamide

Base Information

• Chemical Name: N-(4-butylphenyl)-2-chloroacetamide
• CAS No.: 1527-62-4
• Molecular Formula: C12H16 Cl N O
• Molecular Weight: 225.718
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20979724
• Wikidata: Q82965439
• Mol file: 1527-62-4.mol

Synonyms:N-(4-butylphenyl)-2-chloroacetamide;1527-62-4;MFCD01034342;6350-92-1;SCHEMBL7290905;DTXSID20979724;BBL015715;STK417916;AKOS000268651;JS-3018;EN300-01680;Z56867219;F2190-0197

Chemical Property of N-(4-butylphenyl)-2-chloroacetamide

Chemical Property:

• Melting Point: 130-131 °C
• Boiling Point: 380.5±35.0 °C(Predicted)
• PKA: 12.90±0.70(Predicted)
• PSA: 29.10000
• Density: 1.130±0.06 g/cm3(Predicted)
• LogP: 3.27950
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 225.0920418
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-butylphenyl)-2-chloroacetamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)NC(=O)CCl

Technology Process of N-(4-butylphenyl)-2-chloroacetamide

There total 1 articles about N-(4-butylphenyl)-2-chloroacetamide 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: 73.3%

4-Butylaniline (104-13-2) + chloroacetyl chloride (79-04-9) → N-(4-butylphenyl)-2-chloroacetamide (1527-62-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acsmedchemlett.5b00495

Reference yield: 78.0%

N-(4-butylphenyl)-2-chloroacetamide (1527-62-4) + mercaptoacetic acid (68-11-1) → potassium N-(4-butylphenyl) carbamylmethyl mercaptoacetate thioether

Guidance literature:

mercaptoacetic acid; With potassium hydroxide; In acetone;

N-(4-butylphenyl)-2-chloroacetamide; In acetone; at 60 ℃; for 8h;

DOI:10.1021/acsmedchemlett.7b00058

Reference yield: 71.0%

carbon disulfide (75-15-0,12122-00-8) + N-(4-butylphenyl)-2-chloroacetamide (1527-62-4) + L-homoserine lactone hydrochloride (2185-03-7) → (S)-2-((4-butylphenyl)amino)-2-oxoethyl (2-oxotetrahydrofuran-3-yl)carbamodithioate

Guidance literature:

carbon disulfide; L-homoserine lactone hydrochloride; With sodium phosphate dodecahydrate; In acetone; for 0.5h;

N-(4-butylphenyl)-2-chloroacetamide; In acetone; at 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2015.02.026

upstream raw materials:

4-Butylaniline

chloroacetyl chloride

Downstream raw materials:

6-({2-[(4-butylphenyl)amino]-2-oxoethyl}thio)-5-cyano-N-(4-ethoxyphenyl)-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

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