1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine

Basic Information

View in Editor

CAS Number

22345-47-7

Molecular Formula

C22H26N2O4

Molecular Weight

382.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

157°C

Boiling Point

509.61°C (rough estimate)

Flash Point

195.2±21.2 °C

Solubility

DMSO: ~14 mg/mL

Refractive Index

1.6500 (estimate)

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

View in Editor

CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3

InChIKey

RUJBDQSFYCKFAA-UHFFFAOYSA-N

LogP

4.441500000000004

Topological Polar Surface Area

61.640000000000015 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

579

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

LS-14948
1-[3,4-bis(methyloxy)phenyl]-5-ethyl-4-methyl-7,8-bis(methyloxy)-5H-2,3-benzodiazepine
CHEMBL404216
EINECS 244-922-3
7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine
Tofisopamum
benzodiazepine; EGYT 341; Grandaxin; Nodeprine; Seriel
BCP09600
DTXCID303681
TOFISOPAM [WHO-DD]
NCGC00165912-03
tofizopam
SB17495
NCGC00165912-02
CAS-22345-47-7
22345-47-7
CHEBI:32241
CCRIS 8738
HY-A0165
(1Z,3Z)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine
Grandaxin
5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-1-(3,4-Dimethoxyphenyl)-4-methyl-5-ethyl-7,8-dimethoxy-5H-2,3-benzodiazepine; 7,8-Dimethoxy-1-(3,4-dimethoxyphenyl)-5-ethyl-4-methyl-5H-2,3-benzodiazepine; EGYT 341; Grandaxin; Seriel; Tofisopam
AKOS025401672
BRD-A69095630-001-01-1
TOFISOPAM [MI]
DTXSID3023681
Tofisopam, >=98% (HPLC), solid
5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
D01254
UZC80HAU42

MDL Number

MFCD00823171

FAQ

What regulatory guidelines apply to 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7)?

The compound 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7) must comply with GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a pharmaceutical precursor and should be handled in accordance with local and international chemical safety standards and environmental protection laws.

Are there alternatives to 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7) in synthesis?

There are alternative reagents and synthetic pathways available for producing similar compounds. Common alternatives include various diazepines and benzodiazepines with different substituents. It is important to consider the reactivity and availability of the alternatives to ensure efficient and safe synthesis.

What is the market or research trend for 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7)?

The compound is primarily used in pharmaceutical research and development. Market trends show increasing interest in developing new drugs and treatments. Research is focusing on its potential therapeutic applications, particularly in areas such as pain management and neurology. The compound's market is expected to grow with advancements in these fields.

How should waste containing 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7) be handled?

Waste containing 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine (CAS: 22345-47-7) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be done in compliance with local regulations. Environmental protection measures, such as proper ventilation and containment, should be strictly followed to prevent contamination and ensure safety.