2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid CAS 1011412-52-4
| CAS No. | 1011412-52-4 |
| Molecular Formula | C21H22ClNO5 |
| Molecular Weight | 403.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (C21H22ClNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 403.86 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
CATO supplies 2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid (CAS 1011412-52-4), a certified reference material (molecular formula C21H22ClNO5, MW 403.86 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C21H22ClNO5 |
| Molecular Weight | 403.86 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related chloropropyl Standards
- 2-(3-chloropropyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 385383-38-0)
- 3-(3-Chloropropyl)-1,1,1,5,5,5-hexamethyl-3-((trimethylsilyl)oxy)trisiloxane (CAS 18077-31-1)
- 3-(3-Chloropropyl)-1-tosyl-1H-indole-5-carbonitrile (CAS 2306261-63-0)
- 10-(3-Chloropropyl)-2-(methylsulfonyl)-10H-phenothiazine (CAS 40051-30-7)
- 4-[4-(3-Chloropropyl)-1-piperazinyl]-2-(1,1-dimethylethyl)-6-(trifluoromethyl)pyrimidine (CAS 219600-00-7)
- 10-(3-Chloropropyl)-2-nitro-10H-indolo[3,2-b]quinoline (CAS 214467-43-3)
- 1-(3-Chloropropyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (CAS 874301-79-8)
- tris(2-Chloropropyl)phosphate (CAS 6145-73-9)
Recommended Standards
- 4-[(5-Chloro-2-thienyl)methyl]-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one (CAS 909668-83-3)
- 2-((1-(4-Chlorophenyl)-1H-tetrazol-5-yl)thio)-N-cyclopropyl-2-(4-fluorophenyl)acetamide (CAS 927147-00-0)
- 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-3-(3-isopropoxyphenyl)thiourea (CAS 326815-42-3)
- 2-((3-Chlorophenyl)amino)-9-methyl-3-((2-phenylhydrazono)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 326007-30-1)
- 3,5-Dichloro-4-nitrophenol (CAS 50590-08-4)
- Boron trifluoride dihydrate (CAS 13319-75-0)
- 1-Benzyl-4-(2-hydroxyphenyl)piperidin-4-ol (CAS 474396-94-6)
- 4-Amino-5-(3-methoxyphenyl)-4h-1,2,4-triazole-3-thiol (CAS 150093-61-1)
- 4-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}aniline (CAS 380442-28-4)
- Boc-(+/-)-trans-4-(3-fluorophenyl)pyrrolidine-3-carboxylic Acid (CAS 301226-53-9)
- tert-Butyl (S)-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate (CAS 35150-08-4)
- 4,7-Dibromo-8-methylquinoline (CAS 1189105-53-0)
- Methyl xanthanoate (CAS 39497-06-8)
- Semaglutide impurity 197 (CAS CATO-C4X-2226197)
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