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80756-85-0

80756-85-0 Structure

80756-85-0 Structure
IdentificationMore
[Name]

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
[CAS]

80756-85-0
[Synonyms]

S-2-BENZATHIAZOYL-2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLACETAT
S-2-BENZOTHIAZOYL-2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLEACETATE
(2-mercaptobenzothiazolyl)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate(syn
2-(2-amino-4-thiazole)-2-methoxyiminoacetic,thiobenzothiazoleester
2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetic,thiobenzothiazoleester
2-amino-alpha-(methoxyimino)-4-thiazoleethanethioicacis-2-benzothiazolyl
s-2-benzothiazolyl(z)-2-amino-alpha-(methoxyimino)-4-thiazoleethanethioate
s-benzothiazol-2-yl(z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacet
2-MERCAPTOBENZOTHIAZOLYL(Z)-2-AMINOTHIAZOLE-4-YL-2-METHOXY IMINO ACETATE(MAEM)
Ceftriaxone Sodium intermediate
S-benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate
S-2-Benzothiazoyl-2-amino-alpha-methoxyimino-4-thiazoleacetate(MAEM)
S-2-benzothiazoyl-2-amino-α-methoxyimino-4-thiazoleacetate
(Benzothiazol-2-yl)-(Z)-2-methoxyimino-2-(2-amino-thiozol-4-yl) thioacetate
S-2-Benzothiazolyl-2-amino-alpha-(methoxyimino)-4-thiazolethioacetate
2-Mercaptobenzothiazolyl (2-Aminothiazolyl)-Methoxyimino Acetate
(BENZOTHIAZOL-2-YL)-2-(2-AMINOTHIZAZOL-4-YL)-(Z)-2-METHOXYIMINO THIOACETATE
2-Amino-α-(methoxyimino)-4-thiazoleethanethioic acid, S-2-benzothiazolyl ester
S-(Benzothiazol-2-yl) (Z)-(2-aminothiazol-4-yl) (methoxyimino) thioacetate
S-(Benzothiazol-2-yl) 2-amino-α-(methoxyimino) thiazole-4-thioacetate
[EINECS(EC#)]

279-540-6
[Molecular Formula]

C13H10N4O2S3
[MDL Number]

MFCD00134182
[Molecular Weight]

350.44
[MOL File]

80756-85-0.mol
Chemical PropertiesBack Directory
[Appearance]

light yellow powder
[Melting point ]

128-130 °C(lit.)
[Boiling point ]

563.2±42.0 °C(Predicted)
[density ]

1.63
[refractive index ]

1.6200 (estimate)
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

1.22±0.10(Predicted)
[color ]

Pale Yellow
[Stability:]

Moisture Sensitive
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C13H10N4O2S3/c1-19-17-10(8-6-20-12(14)15-8)11(18)22-13-16-7-4-2-3-5-9(7)21-13/h2-6H,1H3,(H2,14,15)/b17-10-
[InChIKey]

COFDRZLHVALCDU-YVLHZVERSA-N
[SMILES]

S(C1SC2C=CC=CC=2N=1)C(=O)/C(/C1N=C(N)SC=1)=N\OC
[CAS DataBase Reference]

80756-85-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[RTECS ]

XJ4664500
[HS Code ]

2934.20.8000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Dichloromethane-->Triethylamine-->Triphenylphosphine-->2,2'-Dithiobis(benzothiazole)
[Preparation Products]

Cefetamet pivoxyl-->2-Mercaptobenzothiazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate(80756-85-0).msds
Hazard InformationBack Directory
[Hazard]

Low toxicity by ingestion.
[Chemical Properties]

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate is light yellow powder
[Uses]

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate is used in the synthesis of Cefotaxime and related derivatives, such as: Ceftriaxone (C245000).
[Synthesis]

In a 500 ml four-necked flask equipped with mechanical stirring, constant pressure dropping funnel, reflux condenser and thermometer, 20 g (0.0995 mol) of aminothiazoleacetic acid was added, dibenzothiazole sulfide, pyridine and 100 ml of dichloromethane
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

80756-85-0(sigmaaldrich)
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