N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide

Base Information

Chemical Name:N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide
CAS No.:439578-99-1
Molecular Formula:C₂₆H₂₇ClN₄O₄S₂
Molecular Weight:559.11
Hs Code.:
DSSTox Substance ID:DTXSID301107351
Mol file:439578-99-1.mol

Synonyms:439578-99-1;N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide;N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-(chloromethyl)benzamide;N-(5-((5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(chloromethyl)benzamide;SCHEMBL5658119;DTXSID301107351;CS-M1066;AKOS008054224;CS-13774;Z168829182;N-[5-[[5-[(4-Acetyl-1-piperazinyl)carbonyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-(chloromethyl)benzamide

Suppliers and Price of N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Chemenu
N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide 95%+
25mg
$ 319.00

Chemenu
N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide 95%+
250mg
$ 1321.00

Chemenu
N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide 95%+
100mg
$ 732.00

American Custom Chemicals Corporation
N-(5-(5-(4-ACETYLPIPERAZINE-1-CARBONYL)-4-METHOXY-2-METHYLPHENYLTHIO)THIAZOL-2-YL)-4-(CHLOROMETHYL)BENZAMIDE 95.00%
5MG
$ 500.38

Total 6 raw suppliers

Chemical Property of N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide

Chemical Property:

PSA：145.38000
LogP:4.85550
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:558.1162254
Heavy Atom Count:37
Complexity:807

Purity/Quality:

≥95% ^*data from raw suppliers

N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide 95%+ ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CCl)C(=O)N4CCN(CC4)C(=O)C)OC

Technology Process of N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide

There total 8 articles about N-(5-(5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenylthio)thiazol-2-yl)-4-(chloromethyl)benzamide 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:

: 439578-98-0
1-{4-[5-(2-amino-thiazol-5-ylsulfanyl)-2-methoxy-4-methyl-benzoyl]-piperazin-1-yl}-ethanone

: 876-08-4
p-(chloromethyl)benzoyl chloride

: 439578-99-1
N-[5-[[[3-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-6-methyl]phenyl]thio]thiazol-2-yl]-4-(chloromethyl)benzamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;
DOI:10.1016/j.bmcl.2006.04.060

Reference yield:

: 439579-12-1
5-mercapto-2-methoxy-4-methylbenzoic acid

: 439578-99-1
N-[5-[[[3-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-6-methyl]phenyl]thio]thiazol-2-yl]-4-(chloromethyl)benzamide

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / NaOMe / methanol / 0 - 20 °C

2: 78 percent / EDAC; HOAt; i-Pr₂NEt / tetrahydrofuran

3: i-Pr₂NEt / CH₂Cl₂ / 20 °C

With 1-hydroxy-7-aza-benzotriazole; sodium methylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2006.04.060

Reference yield:

: 439579-02-9
2-Amino-5-[(5-carbomethoxy-4-methoxy-2-methylphenyl)thio]thiazole

: 439578-99-1
N-[5-[[[3-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-6-methyl]phenyl]thio]thiazol-2-yl]-4-(chloromethyl)benzamide

Guidance literature:: Multi-step reaction with 5 steps

1: DMAP / tetrahydrofuran

2: aq. NaOH / methanol

3: EDAC; HOAt; i-Pr₂NEt / tetrahydrofuran

4: TFA

5: i-Pr₂NEt / CH₂Cl₂ / 20 °C

With dmap; sodium hydroxide; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1016/j.bmcl.2006.04.060