2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide

Base Information

• Chemical Name: 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
• CAS No.: 300851-67-6
• Molecular Formula: C₁₄H₁₅ClN₂OS
• Molecular Weight: 294.805
• European Community (EC) Number: 803-709-0
• ChEMBL ID: CHEMBL610463
• Wikidata: Q27073758
• Mol file: 300851-67-6.mol

Synonyms:4-CMTB;300851-67-6;2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide;2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide;CHEMBL610463;Enamine_000061;Oprea1_875848;MLS001018069;GTPL5500;SCHEMBL16369644;cid_4307629;CHEBI:113043;HMS1394C17;HMS2644I21;HY-P1125;(+/-)-4-CMTB;BDBM50305973;MFCD02666163;AKOS001033996;AKOS016375538;4-CMTB, >=98% (HPLC);BS-16905;SMR000354300;CS-0027973;EN300-1262807;SR-01000025543;SR-01000025543-1;Q27073758;Z28173527;4-chloro-?-(1-methylethyl)-N-2-thiazolylbenzeneacetamide;4-Chloro-alpha-(1-methylethyl)-N-2-thiazolyl-benzeneacetamide;4-chloro-alpha-(1-methylethyl)-N-2-thiazolylbenzeneacetamide

Chemical Property of 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide

Chemical Property:

• Melting Point: 191-192 °C(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
• PKA: 8.88±0.50(Predicted)
• Density: 1.290±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 294.0593620
• Heavy Atom Count: 19
• Complexity: 306

Purity/Quality:

≥98% by HPLC ^*data from raw suppliers

4-CMTB ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=NC=CS2

Technology Process of 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide

There total 1 articles about 2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide 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:

2-thiazolylamine (96-50-4) + 2-(4-chlorophenyl)-3-methylbutyric acid (2012-74-0,55291-27-5,55332-38-2,63640-09-5) → 4-chloro-α-(1-methylethyl)-N-2-thiazolylbenzeneacetamide (300851-67-6)

Guidance literature:

With 2,4,6-trimethyl-pyridine; oxalyl dichloride; In N,N-dimethyl-formamide; at -15 ℃; for 2h;

DOI:10.1016/j.bmcl.2009.11.112

Reference yield:

4-chloro-α-(1-methylethyl)-N-2-thiazolylbenzeneacetamide (300851-67-6) → 4-CMTB (1103523-24-5) + C14H15ClN2OS (1208552-52-6)

Guidance literature:

With ChiralPak AD-H column; Resolution of racemate;

DOI:10.1016/j.bmcl.2009.11.112

upstream raw materials:

2-thiazolylamine

2-(4-chlorophenyl)-3-methylbutyric acid

Downstream raw materials:

4-CMTB

C₁₄H₁₅ClN₂OS

Refernces