N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Base Information

Chemical Name:N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CAS No.:73566-02-6
Molecular Formula:C22H25BrN6O5S3
Molecular Weight:629.5701
Hs Code.:
NSC Number:337393
DSSTox Substance ID:DTXSID40419536
Wikidata:Q82230571

N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Synonyms:73566-02-6;NSC337393;DTXSID40419536;AG-G-91139;NSC-337393

Suppliers and Price of N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

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

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Chemical Property of N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.61g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:13
Exact Mass:628.02319
Heavy Atom Count:37
Complexity:769

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCBr)NSC3=CC=CC=C3[N+](=O)[O-])O
Isomeric SMILES:C[C@H]([C@@H](C(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCBr)NSC3=CC=CC=C3[N+](=O)[O-])O

Technology Process of N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

There total 5 articles about N-(3-bromopropyl)-2-[2-[2-[[(2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide 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:

: 7685-70-3
N-<(o-nitrophenyl)sulfenyl>-L-threonine

: 73566-02-6
2'-{2-[(2S,3R)-3-Hydroxy-2-(2-nitro-phenylsulfanylamino)-butyrylamino]-ethyl}-[2,4']bithiazolyl-4-carboxylic acid (3-bromo-propyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / N,N'-dicyclocarbodiimide / acetonitrile / 0 °C

2: 83 percent

With N,N'-dicyclocarbodiimide; In acetonitrile;
DOI:10.1021/ja00524a055

Reference yield:

: 501662-17-5
2'-[2-(2,2,2-Trifluoro-acetylamino)-ethyl]-[2,4']bithiazolyl-4-carboxylic acid (3-bromo-propyl)-amide

: 73566-02-6
2'-{2-[(2S,3R)-3-Hydroxy-2-(2-nitro-phenylsulfanylamino)-butyrylamino]-ethyl}-[2,4']bithiazolyl-4-carboxylic acid (3-bromo-propyl)-amide

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent Spectr_. / K₂CO₃ / tetrahydrofuran; H₂O / 15 h

2: 83 percent

With potassium carbonate; In tetrahydrofuran; water;
DOI:10.1021/ja00524a055

Reference yield:

: 76275-91-7
2'-<2-(trifluoroacetamido)ethyl>-2,4'-bithiazole-4-carboxylic acid

: 73566-02-6
2'-{2-[(2S,3R)-3-Hydroxy-2-(2-nitro-phenylsulfanylamino)-butyrylamino]-ethyl}-[2,4']bithiazolyl-4-carboxylic acid (3-bromo-propyl)-amide

Guidance literature:: Multi-step reaction with 4 steps

1: SOCl₂, Et₃N / CH₂Cl₂ / 18 h / 25 °C

2: 99 percent / Et₃N, (CH₃)2N(C₆H₄N) / CH₂Cl₂ / 2 h / 25 °C

3: 95 percent Spectr_. / K₂CO₃ / tetrahydrofuran; H₂O / 15 h

4: 83 percent

With thionyl chloride; (CH₃)2N(C₆H₄N); potassium carbonate; triethylamine; In tetrahydrofuran; dichloromethane; water;
DOI:10.1021/ja00524a055