Basic information
- CAS
176721-02-1- Standard SMILES
Cc1cccc(C(=O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C- InChIKey
WPSPNQNZPWTZLN-UHFFFAOYSA-N- Molecular formula
- C31H26N2O
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.20451345
Names & identifiers
- Preferred name
- (2,3-Dimethylphenyl)(1-trityl-1H-imidazol-5-yl)methanone
- IUPAC
- (2,3-dimethylphenyl)-(3-tritylimidazol-4-yl)methanone
- English name
- (2,3-Dimethylphenyl)[1-(trityl)-1H-imidazol-4-yl]methanone
- Molecular formula
- C31H26N2O
- Molecular weight
- 442.55
Names & synonyms
(2,3-Dimethylphenyl)(1-trityl-1H-imidazol-5-yl)methanone(2,3-dimethylphenyl)-(3-tritylimidazol-4-yl)methanoneWPSPNQNZPWTZLN-UHFFFAOYSA-NSCHEMBL1482948DTXSID80655274AKOS016004114FD22392DB-335870Dimethylphenyl)(1-trityl-1H-imidazol-5-yl)methanone(2,3-dimethylphenyl)(I-trityl-1H imidazol-5-yl)methanone(2,3-dimethylphenyl)(I-trityl-IH-imidazol-5-yl)methanone(2,3-dimethylphenyl)(l-trityl-1H imidazol-5-yl)methanone
Show more names
Medetomidine Impurity 37Dexmedetomidine Impurity 33Dexmedetomidine Impurity 29(2,3-Dimethylphenyl)(1-trityl-4-imidazolyl)methanone(2,3-Dimethylphenyl)[1-(trityl)-1H-imidazol-4-yl]methanone1-(2,3-dimethylphenyl)-1-(1H-imidazol-4-triphenylmethyl)meth...1-(2,3-dimethylphenyl)-1-(1H-imidazol-4-triphenylmethyl)methanone(2,3-Dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-4-yl]methanone
(2,3-dimethylphenyl)(l-trityl-lH-imidazol-5-yl)methanone(2,3-dimethylphenyl)-(3-trityl-3h-imidazol-4-yl)methanone(2,3-Dimethylphenyl)[1-(triphenylmethyl)-1H-imidazol-5-yl]methanone
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Melting point
- 165 · 165 - 171°C
- Boiling point
- 593 · 593.0±38.0 °C(Predicted)
- Density
- 1.09 · 1.09
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 1.9 · 1.90±0.61(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C31H26N2O/c1-23-13-12-20-28(24(23)2)30(34)29-21-33(22-32-29)31(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-22H,1-2H3
- InChIKey
- ZXHLCLMKNSXZEJ-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC(C)=C1C)(C1=CN(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=N1)=O
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 361 · H361-H319-H362-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H361-H319-H362-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Uses(2,3-Dimethylphenyl)[1-(trityl)-1H-imidazol-4-yl]methanone is used in the synthetic preparation of dexmedetomidine from medetomidine intermediate.
UsesIntermediate in the production of Medetomidine
Upstream & downstream products
Downstream products
Suppliers57 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
济南深丽康化工科技有限公司0531-86092839 15318817273 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
9 records
Compound notes
Loading…