alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid

Base Information

Chemical Name:alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid
CAS No.:132483-50-2
Molecular Formula:C13H12N2O3S
Molecular Weight:276.316
Hs Code.:
DSSTox Substance ID:DTXSID50874399
Nikkaji Number:J426.108I
Mol file:132483-50-2.mol

Synonyms:132483-50-2;alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid;2-[4-(4-carbamoyl-1,3-thiazol-2-yl)phenyl]propanoic acid;DTXSID50874399;BENZENEACETIC ACID, 4-[(4-(AMINOCARBONYL)-2-THIA

Suppliers and Price of alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid

Chemical Property:

Melting Point:245 - 247 °C (H2O)
Boiling Point:558.3±60.0 °C(Predicted)
PKA:4.06±0.10(Predicted)
PSA：121.52000
Density:1.375±0.06 g/cm3(Predicted)
LogP:2.79740
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:276.05686342
Heavy Atom Count:19
Complexity:356

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC=C(C=C1)C2=NC(=CS2)C(=O)N)C(=O)O

Technology Process of alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid

There total 8 articles about alpha-Methyl-4-(4-carbamoyl-2-thiazolyl)benzeneacetic acid 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:

: 100-00-5
4-chlorobenzonitrile

: 132483-50-2
2-<4-(4-Carbamoylthiazol-2-yl)phenyl>propionic Acid

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) NaH / 1.) DMF, 30 min, room temperature, 2.a) DMF, 30 min, room temperature, b.) 2 h, 90 deg C

2: 9.2 g / H₂ / 10percent Pd-C / ethyl acetate / 4 h / Ambient temperature

3: 1.) 12 N HCl, NaNO₂, 2.) Na₂CO₃ / 1.) H₂O, 2-3 deg C, 20 min, 2.a) H₂O, 1.5 h, 3 deg C, b.) 2 h, 50 deg C

4: 93 percent / H₂S (g), NEt₃ / dimethylformamide / 0.5 h / 90 °C

5: 71 percent / benzene / Heating

6: SOCl₂ / CH₂Cl₂ / 1.67 h / Heating

7: 28percent aq. NH₃ / 0.17 h / 0 °C

8: 1 N aq. NaOH / ethanol / Heating

With hydrogenchloride; ammonium hydroxide; sodium hydroxide; thionyl chloride; hydrogen sulfide; hydrogen; sodium hydride; sodium carbonate; triethylamine; sodium nitrite; palladium on activated charcoal; In ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; benzene;
DOI:10.1248/cpb.39.2323

Reference yield:

: 61881-49-0
Diethyl 2-methyl-2-(4-nitrophenyl)malonate

: 132483-50-2
2-<4-(4-Carbamoylthiazol-2-yl)phenyl>propionic Acid

Guidance literature:: Multi-step reaction with 7 steps

1: 9.2 g / H₂ / 10percent Pd-C / ethyl acetate / 4 h / Ambient temperature

2: 1.) 12 N HCl, NaNO₂, 2.) Na₂CO₃ / 1.) H₂O, 2-3 deg C, 20 min, 2.a) H₂O, 1.5 h, 3 deg C, b.) 2 h, 50 deg C

3: 93 percent / H₂S (g), NEt₃ / dimethylformamide / 0.5 h / 90 °C

4: 71 percent / benzene / Heating

5: SOCl₂ / CH₂Cl₂ / 1.67 h / Heating

6: 28percent aq. NH₃ / 0.17 h / 0 °C

7: 1 N aq. NaOH / ethanol / Heating

With hydrogenchloride; ammonium hydroxide; sodium hydroxide; thionyl chloride; hydrogen sulfide; hydrogen; sodium carbonate; triethylamine; sodium nitrite; palladium on activated charcoal; In ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; benzene;
DOI:10.1248/cpb.39.2323