Dimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate CAS 1217808-02-0
| CAS No. | 1217808-02-0 |
| Molecular Formula | C25H18FN3O5 |
| Molecular Weight | 459.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Dimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate.
Dimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate (CAS 1217808-02-0), molecular formula C25H18FN3O5 and molecular weight 459.43 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Dimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate (C25H18FN3O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 459.43 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures Dimethyl 2',2',4''-tricyano-4-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C25H18FN3O5 |
| Molecular Weight | 459.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Dimethyl Standards
- Dimethyl 2',2',4-tricyano-2''-fluoro-5'-hydroxy-1',2',3',4'-tetrahydro-[1,1':3',1''-terphenyl]-4',6'-dicarboxylate (CAS 1212097-79-4)
- (S)-1-(4-(7,7-Dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)phenyl)-3-ethylurea (CAS 1429639-50-8)
- 7,9-Dimethyl-2-((4-methylbenzyl)thio)-4-(phenylthio)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 672950-73-1)
- 3-(3-((Dimethyl(vinyl)silyl)oxy)-1,1,5,5-tetramethyl-1,5-divinyltrisiloxan-3-yl)propyl methacrylate (CAS 17096-10-5)
- 11,12-Dimethyl-13-{2-[3-(trifluoromethyl)phenoxy]phenyl}-4,6,10-trioxatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,7-trien-11-ol (CAS 1005047-31-3)
- (3,5-Dimethyl-1H-pyrazol-1-yl)(3-((4-(3-methoxyphenyl)piperazin-1-yl)sulfonyl)thiophen-2-yl)methanone (CAS 1291487-00-7)
- 2-((2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6-(thiophen-2-yl)nicotinonitrile (CAS 311810-00-1)
- Dimethyl 6,6'-bis(bromomethyl)-[2,2'-bipyridine]-4,4'-dicarboxylate (CAS 117330-41-3)
Recommended Standards
- 2-((6-Acetyl-3-cyano-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)thio)-N-(3-cyanophenyl)acetamide (CAS 664999-42-2)
- Pemetrexed Impurity N17 (CAS 1644286-36-1)
- 6-Acetyl-3-amino-N-(3-cyanophenyl)-4-(trifluoromethyl)-5H,6H,7H,8H-thieno[2,3-b]1,6-naphthyridine-2-carboxamide (CAS 664999-49-9)
- tert-butyl N-[3-(4-bromophenyl)-1-bicyclo[1.1.1]pentanyl]-N-(tert-butoxycarbonylamino)carbamate (CAS 2149634-54-6)
- Ethyl 2-(2-((3-cyano-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 625369-18-8)
- Methyl 2-(4-(4-(pyridin-2-yl)pyrimidin-2-yl)phenoxy)acetate (CAS 477857-18-4)
- Tert-butyl 2-(2-methyl-1-nitropropan-2-yl)hydrazine-1-carboxylate (CAS 1354825-84-5)
- Tetrahydro-2H-pyran-2,5-dicarboxylic acid (CAS 101012-23-1)
- 5-Benzyl-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid (CAS 790239-65-5)
- Etodolac EP Impurity L Ammonium Salt (CAS 2789629-50-9 (free base))
- 2-(4-(Furan-2-carbonyl)piperazin-1-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 380452-13-1)
- 3-(Hydroxymethyl)-5-nitrobenzoic acid (CAS 53732-09-5)
- 1-(4-(4,7-Dimethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)butan-1-one (CAS 897486-89-4)
- Peptide Impurity 26 (CAS 1350456-66-4)
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