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(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate | CAS No. 89604-92-2

(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate

Basic Information

Chemical_Structure_Of
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CAS Number

89604-92-2

Molecular Formula

C20H22N4O4S3

Molecular Weight

478.62 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

138-140 ºC

Boiling Point

621.6°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N4O4S3/c1-19(2,3)27-16(26)20(4,5)28-24-14(12-10-29-17(21)22-12)15(25)31-18-23-11-8-6-7-9-13(11)30-18/h6-10H,1-5H3,(H2,21,22)

InChIKey

RCZJVHXVCSKDKB-UHFFFAOYSA-N

LogP

4.494900000000003

Topological Polar Surface Area

116.76 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

713

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate
  • S-2-Benzothiazolyl ( Z )-2-(2-aminothiazol-4-yl)-2-(1-t-butoxycarbonyl-1-methyl)ethoxyiminothioacetate
  • Propanoic acid (Z)-2-[[[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methyl-1,1-dimethylethyl ester
  • S-2-benzothiazoyl-(Z)-2-(1-ter-butoxycanbonyl-1-methylethoxyimino)-4-thiazoleacetate
  • 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl)isopropoxyiminoacetate
  • (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate
  • 2-Mercaptobenzothiaz
  • 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacet...
  • BENZOTHIAZOL-2-YL-(Z)-2-(TERT-BUTOXYCARBONYLPROP-2-OXYIMINO)- (2-AMINOTHIAZOL-4-YL) THIOACETATE (BPTA)
  • TAEM
  • 2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tertbutoxycarbonyl) isopropoxyiminoacetate
  • BPTA
  • ceftazidime intermediate
  • (E)-tert-butyl 2-(1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylideneaminooxy)-2-methylpropanoate
  • C20H22N4O4S3
  • benzothiazol-2-yl-(z)-2-(tert-butoxycarbonylprop-2-oxyimino)-2-(2-aminothiazol-4-yl)thi-oacetate
  • Ceftazidime Related Compound 1
  • Propanoic acid (Z)-2-[[[1-(2-amino-4-thiazolyl)-2-(2-benz
  • Tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]am
  • Tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate
  • 1,1-Dimethylethyl 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methylpropanoate (ACI)
  • Propanoic acid, 2-[[[1-(2-amino-4-thiazolyl)-2-(2-benzothiazolylthio)-2-oxoethylidene]amino]oxy]-2-methyl-, 1,1-dimethylethyl ester, (Z)- (ZCI)
  • SCHEMBL18207742
  • (Z)-tert-Butyl2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate
  • tert-Butyl (Z)-2-[[[1-(2-Amino-4-thiazolyl)-2-[benzo[d]thiazol-2-ylthio]-2-oxoethylidene]amino]oxy]-2-methylpropionate
  • AKOS015899231
  • 89604-92-2
  • tert-butyl 2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino]oxy-2-methylpropanoate
  • 158183-05-2
  • RCZJVHXVCSKDKB-OYKKKHCWSA-N
  • tert-butyl (Z)-2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate

MDL Number

MFCD00071548

FAQ

What is (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate (CAS: 89604-92-2)?
This compound is a complex organic molecule used in pharmaceutical research. It features a thiazole and benzo[d]thiazole functional group with a tert-butyl side chain and an aminothiazole moiety. It is not widely used in everyday applications but plays a role in the development of potential therapeutic agents.

What are the main uses of (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate (CAS: 89604-92-2)?
This compound is primarily utilized in pharmaceutical research for its potential biological activities, particularly in the development of new drugs and as a scaffold for medicinal chemistry.

Is (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate (CAS: 89604-92-2) safe?
Safety data for this compound is limited. However, it is important to handle it with care, following standard safety protocols. Wear appropriate personal protective equipment (PPE) and ensure proper ventilation. It is generally not considered toxic, but specific toxicity data should be consulted for detailed information.

How should (Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate (CAS: 89604-92-2) be stored?
Store this compound in a cool, dry place away from direct sunlight and moisture. Keep it in a tightly sealed container to prevent degradation. Maintain a temperature between 15-25°C and avoid extremes of temperature and humidity. Ensure proper labeling and storage in a secure location to prevent unauthorized access.

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(Z)-tert-Butyl 2-(((1-(2-aminothiazol-4-yl)-2-(benzo[d]thiazol-2-ylthio)-2-oxoethylidene)amino)oxy)-2-methylpropanoate — Hubei Dahao Chemical Co., Ltd.

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