[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late

Basic Information

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CAS Number

82547-81-7

Molecular Formula

C22H27N9O7S2

Molecular Weight

593.65 g/mol

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

125-128°C

Density

1.3216 (rough estimate)

Refractive Index

1.7400 (estimate)

SMILES

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CC1=NN(N=N1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13+/t14-,18-/m1/s1

InChIKey

UIYAXIPXULMHAI-BQYZVRGLSA-N

LogP

-0.18507999999999902

Topological Polar Surface Area

206.10999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 16

Complexity

1100

Safety Information

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Toxicity

LD50 in male, female mice, rats (g/kg): >6.00, 5.86, 5.63, 5.09 i.p.; in both species >6.00 s.c.; in male mice, rats, dogs (g/kg): >6.00, >6.00, >2.00 orally (Sato)

Synonyms & References

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-2-(METHOXYIMINO)ACETYL)AMINO)-3-((5-METHYL-2H-TETRAZOL-2-YL)METHYL)-8-OXO-, (2,2-DIMETHYL-1-OXOPROPOXY)METHYL ESTER, (6R,7R)-
BRN 4223783
CHEMBL3137676
Cefteram pivoxil (JP17)
CS-0026074
SCHEMBL22718900
UNII-0OD86RT58C
CEFTERAM PIVALOYLOXYMETHYL ESTER [MI]
NS00011587
InChI=1/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13-/t14-,18-/m1/s1
HY-106571
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((5-methyl-2H-tetrazol-2-yl)methyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(6-alpha,7-beta(Z)))-
CHEBI:31381
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Tomiron (TN)
UIYAXIPXULMHAI-JLGRZTKVSA-
s5354
1ST161294
Antibiotic T 2588
T-2588
D01686
PIVALOYLOXYMETHYL (Z)-7-(2-(2-AMINOTHIAZOL-4-YL)-2-METHOXYIMINOACETAMIDO)-3-(5-METHYL-2H-TETRAZOL-2-YLMETHYL)-3-CEPHEM-4-CARBOXYLATE
cefteram pivoxil
starbld0016558
Cefteram pivaloyloxymethyl ester
82547-81-7
CEFTERAM PIVOXIL [WHO-DD]
AKOS040745021
Tomiron
CEFTERAM PIVOXIL [MART.]
DTXSID401316612

MDL Number

MFCD00941401

FAQ

What are the physical and chemical properties of [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

The compound is a crystalline solid with a molecular weight of approximately 662.75 g/mol. It has a high solubility in organic solvents such as dimethyl sulfoxide (DMSO) and poor solubility in water. The compound is reactive towards nucleophiles and can undergo various chemical transformations, including ester formation and amidation. It is sensitive to moisture and may degrade under humid conditions.

How is [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7) typically synthesized?

The compound can be synthesized via a multi-step process involving the condensation of 2-(2-amino-1,3-thiazol-4-yl)acetic acid with 5-methyl-2H-tetrazole, followed by amidation and esterification. The synthesis typically requires mild to moderate conditions, with the use of appropriate catalysts and solvents to ensure high yield and selectivity.

What industries use [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

This compound is primarily used in the pharmaceutical industry for drug development. It may also have applications in the production of novel polymers and sensors due to its specific chemical properties. Its use in semiconductors is less common but is explored for its potential in specific applications.

What precautions should be taken when handling [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be carried out in a fume hood to minimize exposure. Spills should be cleaned up using appropriate chemicals, and the material safety data sheet (MSDS) should be consulted for detailed spill management procedures.

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Compound Q&A

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[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxy late | CAS No. 82547-81-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Density

Refractive Index

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Toxicity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

How is [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7) typically synthesized?

What industries use [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

What precautions should be taken when handling [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-[(5-methyl-2H-tetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 82547-81-7)?

Related Compounds

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