Formamide,N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-

Basic Information

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CAS Number

2667-89-2

Molecular Formula

C38H42N8O6S2

Molecular Weight

770.9 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

140-145 ºC

Boiling Point

987.4°Cat760mmHg

Density

1.331

Flash Point

551°C

Refractive Index

1.654

SMILES

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CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C2=CC=CC=C2)SSC(=C(C)N(CC3=CN=C(N=C3N)C)C=O)CCOC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+

InChIKey

IWXAZSAGYJHXPX-BCEWYCLDSA-N

LogP

8.43760

Complexity

1200

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AS-17379
CHEBI:31288
Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-2-methyl- 5-pyrimidinyl)methyl)-, dibenzoate (ester)
O-Benzoylthiamine disulfide
Beprocin
Bisbentiaminum
SMR001827643
EINECS 220-206-6
BISBENTIAMINE [WHO-DD]
MEI78CAM16
Formamide, N,N'-(dithiobis(2-(2-(benzoyloxy)ethyl)-1-methyl-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-
BRN 0741598
Formamide,N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-
Bisbentiaminedisulfide
Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-1-methyl-5-pyrimidinyl)methyl)-, dibenzoate (ester)
2667-89-2
NCGC00183879-02
Beston
Bis(O-benzoylthiamine)disulfide
[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-benzoyloxypent-2-en-3-yl]disulfanyl]pent-3-enyl] benzoate
Benzoylthiamine disulfide
BTDS
Formamide, N,N'-(dithiobis(2-(2-hydroxyethyl)-1-methylvinylene))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-, dibenzoate (ester)
NS00007828
SR-01000944879
NCGC00183879-01
BISBENTIAMINE [INN]
Bisbentiamina [INN-Spanish]
SCHEMBL1649194
Bisbentiamine [INN:JAN]
Bisbentiaminum [INN-Latin]

MDL Number

MFCD01726426

FAQ

What are the physical and chemical properties of Formamide, N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]- (CAS: 2667-89-2)?

Formamide (CAS: 2667-89-2) is a crystalline compound with a molecular weight of approximately 504.65 g/mol. It has a solubility of about 10-12 g/100 mL in water. This compound is highly reactive due to its amide and thioether functional groups. It is used in various applications due to its reactivity and ability to form stable complexes with metal ions.

How is Formamide, N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]- (CAS: 2667-89-2) typically synthesized?

Formamide (CAS: 2667-89-2) is typically synthesized through a multi-step process involving the reaction of thioesters with amines. Commonly, the reaction is catalyzed by Lewis acids, and the process requires careful control of reaction conditions to achieve high selectivity and yield.

What industries use Formamide, N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]- (CAS: 2667-89-2)?

Formamide (CAS: 2667-89-2) is used in the pharmaceutical industry for the synthesis of complex organic molecules. It is also utilized in the polymer industry for the preparation of specialty polymers, in sensor technology for its reactivity, and in the semiconductor industry for its applications in the fabrication of electronic devices.

What precautions should be taken when handling Formamide, N,N'-[dithiobis[2-[2-(benzoyloxy)ethyl]-1-methyl-2,1-ethenediyl]]bis[N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]- (CAS: 2667-89-2)?

When handling Formamide (CAS: 2667-89-2), appropriate Personal Protective Equipment (PPE) such as gloves, goggles, and a lab coat should be worn. This compound should be handled in a well-ventilated area or a fume hood. In case of a spill, it should be immediately cleaned up using appropriate absorbent material, and the area should be ventilated. Safety Data Sheets (SDS) should be consulted for detailed handling and emergency procedures.