Methyl-attac-cephem

Base Information

Chemical Name:Methyl-attac-cephem
CAS No.:118680-12-9
Molecular Formula:C₂₄H₂₃N₅O₁₁S₂
Molecular Weight:621.606
Hs Code.:
Nikkaji Number:J499.234B
Mol file:118680-12-9.mol

Synonyms:3-(catechol-4-ylcarbonyloxy)methylcephalosporin;7-(2- (2-aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido)-3-(3,4-dihydroxybenzoyloxy)methyl-3-cephem-4-carboxylic acid;methyl-ATTAC-cephem

Suppliers and Price of Methyl-attac-cephem

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

Total 1 raw suppliers

Chemical Property of Methyl-attac-cephem

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：304.81000
Density:1.79g/cm³
LogP:1.57360
XLogP3:-0.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:11
Exact Mass:621.08354891
Heavy Atom Count:42
Complexity:1210

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C4=CC(=C(C=C4)O)O)C(=O)O
Isomeric SMILES:CC(C)(C(=O)O)O/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CC(=C(C=C4)O)O)C(=O)O

Technology Process of Methyl-attac-cephem

There total 5 articles about Methyl-attac-cephem 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:

: 57929-25-6
3,4-(diacetyloxy)benzoyl chloride

: 118680-12-9
7-<2-(2-aminothiazol-4-yl)-2-<(Z)-(1-carboxy-1-methylethoxy)imino>acetamido>-3-<<(3,4-dihydroxybenzoyl)oxy>methyl>ceph-3-em-4-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 4-DMAP, Et₃N / CH₂Cl₂ / 0.17 h / 0 °C

2: 1.) PCl₅, pyridine, 2.) butane-1,3-diol / 1.) CH₂Cl₂, a.) -20 deg C, 15 min, b.) RT, 1.5 h, 2.) CH₂Cl₂, -20 to RT, 1 h

3: CH₂Cl₂ / 1 h / Ambient temperature

4: 1.) TFA, anisole, 2.) NH₄OH / 1.) RT, 1 h

With pyridine; dmap; ammonium hydroxide; 1.3-butanediol; phosphorus pentachloride; methoxybenzene; triethylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm00092a014

Reference yield:

: 29126-13-4
3-hydroxymethyl-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester

: 118680-12-9
7-<2-(2-aminothiazol-4-yl)-2-<(Z)-(1-carboxy-1-methylethoxy)imino>acetamido>-3-<<(3,4-dihydroxybenzoyl)oxy>methyl>ceph-3-em-4-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 4-DMAP, Et₃N / CH₂Cl₂ / 0.17 h / 0 °C

2: 1.) PCl₅, pyridine, 2.) butane-1,3-diol / 1.) CH₂Cl₂, a.) -20 deg C, 15 min, b.) RT, 1.5 h, 2.) CH₂Cl₂, -20 to RT, 1 h

3: CH₂Cl₂ / 1 h / Ambient temperature

4: 1.) TFA, anisole, 2.) NH₄OH / 1.) RT, 1 h

With pyridine; dmap; ammonium hydroxide; 1.3-butanediol; phosphorus pentachloride; methoxybenzene; triethylamine; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm00092a014

Reference yield:

: 118679-75-7
Diphenylmethyl (6R,7R)-7-amino-3-(3,4-diacetoxybenzoyloxy)methylceph-3-em-4-carboxylate

: 118680-12-9
7-<2-(2-aminothiazol-4-yl)-2-<(Z)-(1-carboxy-1-methylethoxy)imino>acetamido>-3-<<(3,4-dihydroxybenzoyl)oxy>methyl>ceph-3-em-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: CH₂Cl₂ / 1 h / Ambient temperature

2: 1.) TFA, anisole, 2.) NH₄OH / 1.) RT, 1 h

With ammonium hydroxide; methoxybenzene; trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm00092a014