(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide

Basic Information

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CAS Number

57-62-5

Molecular Formula

C22H23ClN2O8

Molecular Weight

478.89 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

168-169°

Boiling Point

694.1°Cat760mmHg

Flash Point

694.1°Cat760mmHg

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±3.1 mmHg at 25°C

Specific Rotation

D23 -275.0° (methanol)

SMILES

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CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O

InChI

InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1

InChIKey

CYDMQBQPVICBEU-XRNKAMNCSA-N

LogP

0.43900000000000067

Topological Polar Surface Area

181.61999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

1010

Synonyms & References

English

Aureocina
Duomycin
KBio2_001207
7-Chlorotetracycline
Acronize
Spectrum4_001001
57-62-5
NCGC00178862-04
KBio2_001795
Biomycin a
C06571
Clortetraciclina
IDI1_000253
Q417948
Aureomycin A-377
Biomycin
KBio1_000253
AUREOMYCIN
MFCD00864876
CHLORTETRACYCLINE [MART.]
Aureomicina
BSPBio_002015
Clortetraciclina [INN-Spanish]
Chlormax
EPA Pesticide Chemical Code 006301
CHLORTETRACYCLINE [GREEN BOOK]
D07689
CTC (abtibiotic)
D0R6RC
KBioGR_001461
SPBio_002189

MDL Number

MFCD00864876

FAQ

What are the physical and chemical properties of (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

This compound has a crystalline form and a molecular weight of approximately 602.18 g/mol. It is highly soluble in water and organic solvents. Chemically, it is reactive towards nucleophiles and electrophiles. It exhibits a high reactivity towards amine and alcohol functionalities.

How is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5) typically synthesized?

This compound is synthesized via a complex multistep process involving chlorination, alkylation, and hydroxylation reactions. Commonly used catalysts include Lewis acids and transition metal complexes. The overall yield is moderate, and the reaction selectivity is excellent for the desired product.

What industries use (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

This compound is primarily used in the pharmaceutical industry for its potential medicinal applications. It is also utilized in the semiconductor industry as a precursor for organic semiconductors and in polymers for their electronic properties.

What precautions should be taken when handling (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

Proper handling includes the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a fume hood to minimize inhalation risk. Spills should be handled by professional personnel, and Safety Data Sheets (SDS) should be referenced for detailed emergency procedures.

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Compound Q&A

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(4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide | CAS No. 57-62-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Melting Point

Boiling Point

Flash Point

Refractive Index

Vapor Pressure

Specific Rotation

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

How is (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5) typically synthesized?

What industries use (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

What precautions should be taken when handling (4S,4aS,5aS,6S,12aS)-7-Chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-tetracenecarboxamide (CAS: 57-62-5)?

Related Compounds

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What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

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