- Discovery of novel tetrahydropyrido[4,3-d]pyrimidine analogs as potent autotaxin regulators with impressive tumor suppression effectsWu, Huinan; et al, Journal of Molecular Structure, 2023, 1271,
Cas no 914612-23-0 (6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine)
![6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine structure](https://ossimg.kuujia.com/scimg/915000/914612-23-0x500.png)
914612-23-0 structure
Product Name:6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CAS No:914612-23-0
MF:C14H14ClN3
MW:259.734061717987
MDL:MFCD08273929
CID:827139
PubChem ID:25324046
Update Time:2024-12-09
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- 6-benzyl-4-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
- 6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
- PubChem17814
- RPJAAZOTUXKSEV-UHFFFAOYSA-N
- BCP30469
- Pyrido[4,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)-
- PB10542
- AM101582
- EN002076
- 4-Chloro-5,6,7,8-tetrahydro-6-(phenylmethyl)pyrido[4,3-d]pyrimidine (ACI)
- Z291279212
- 914612-23-0
- 6-benzyl-4-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine
- C14H14ClN3
- AKOS015851141
- J-518265
- DTXSID10649585
- DB-013650
- GS-6336
- 6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine HCl
- SCHEMBL322777
- CS-D0467
- AC-22775
- 6-Benzyl-4-chloro-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidine
- 6-Benzyl-4-chloro-5 pound not6 pound not7 pound not8-tetrahydropyrido[4 pound not3-d]pyrimidine
- EN300-43789
- MFCD08273929
-
- MDL： MFCD08273929
- Inchi： 1S/C14H14ClN3/c15-14-12-9-18(7-6-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
- InChI Key： RPJAAZOTUXKSEV-UHFFFAOYSA-N
- SMILES： ClC1C2CN(CCC=2N=CN=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 259.08800
- Monoisotopic Mass: 259.088
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29
- XLogP3: 2.6
Experimental Properties
- Color/Form: Pale-yellow to Yellow-brown Solid
- Density: 1.273
- Boiling Point: 396.6°C at 760 mmHg
- Flash Point: 396.568 °C at 760 mmHg
- Refractive Index: 1.626
- PSA: 29.02000
- LogP: 2.62620
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261;P305+P351+P338
- Storage Condition：Inert atmosphere,2-8°C
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC12980-5g |
6-benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 97% | 5g |
$600 | 2023-09-07 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B842952-100mg |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 97% | 100mg |
524.70 | 2021-05-17 | |
| Matrix Scientific | 070201-1g |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, >95% |
914612-23-0 | >95% | 1g |
$685.00 | 2023-09-08 | |
| Matrix Scientific | 070201-5g |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, >95% |
914612-23-0 | >95% | 5g |
$1798.00 | 2023-09-08 | |
| TRC | B233770-100mg |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 100mg |
$ 224.00 | 2023-04-18 | ||
| TRC | B233770-250mg |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 250mg |
$ 442.00 | 2023-04-18 | ||
| TRC | B233770-500mg |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 500mg |
$ 689.00 | 2023-04-18 | ||
| TRC | B233770-1g |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
914612-23-0 | 1g |
$ 976.00 | 2023-04-18 | ||
| Chemenu | CM109040-1g |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine |
914612-23-0 | 95+% | 1g |
$239 | 2021-06-17 | |
| Chemenu | CM109040-5g |
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine |
914612-23-0 | 95+% | 5g |
$669 | 2021-06-17 |
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Carbon tetrachloride , Triphenylphosphine ; 2.5 h, 70 °C
1.2 Reagents: Zinc chloride Solvents: Ethanol ; 30 min, rt
1.2 Reagents: Zinc chloride Solvents: Ethanol ; 30 min, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Triethylamine , Phosphorus oxychloride Solvents: Toluene ; rt; 2 h, 100 °C; 100 °C → rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; 1 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; pH 8, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; 1 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ; pH 8, rt
Reference
- Design of A Metabolically Stable Tritium-Tracer of the PI3Kδ-Inhibitor CDZ173 (Leniolisib) as a Tool to Study Liver MetabolitesBauer, Carsten; et al, Helvetica Chimica Acta, 2018, 101(6),
Production Method 3
Reaction Conditions
1.1 Reagents: Sodium ethoxide Solvents: Ethanol ; reflux
2.1 Reagents: Phosphorus oxychloride ; reflux
2.1 Reagents: Phosphorus oxychloride ; reflux
Reference
- Development and Experimental Validation of a Docking Strategy for the Generation of Kinase-Targeted LibrariesGozalbes, Rafael; et al, Journal of Medicinal Chemistry, 2008, 51(11), 3124-3132
Production Method 4
Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ; 6 h, reflux
1.2 Reagents: Acetic acid ; pH 6, rt
2.1 Reagents: Carbon tetrachloride , Triphenylphosphine ; 2.5 h, 70 °C
2.2 Reagents: Zinc chloride Solvents: Ethanol ; 30 min, rt
1.2 Reagents: Acetic acid ; pH 6, rt
2.1 Reagents: Carbon tetrachloride , Triphenylphosphine ; 2.5 h, 70 °C
2.2 Reagents: Zinc chloride Solvents: Ethanol ; 30 min, rt
Reference
- Discovery of novel tetrahydropyrido[4,3-d]pyrimidine analogs as potent autotaxin regulators with impressive tumor suppression effectsWu, Huinan; et al, Journal of Molecular Structure, 2023, 1271,
Production Method 5
Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ; 3 h, 90 °C
1.2 Reagents: Acetic acid Solvents: Dichloromethane ; overnight, rt
1.3 Solvents: Water ; rt
2.1 Reagents: Triethylamine , Phosphorus oxychloride Solvents: Toluene ; rt; 2 h, 100 °C; 100 °C → rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ; 1 h, rt
2.3 Reagents: Sodium bicarbonate Solvents: Water ; pH 8, rt
1.2 Reagents: Acetic acid Solvents: Dichloromethane ; overnight, rt
1.3 Solvents: Water ; rt
2.1 Reagents: Triethylamine , Phosphorus oxychloride Solvents: Toluene ; rt; 2 h, 100 °C; 100 °C → rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ; 1 h, rt
2.3 Reagents: Sodium bicarbonate Solvents: Water ; pH 8, rt
Reference
- Design of A Metabolically Stable Tritium-Tracer of the PI3Kδ-Inhibitor CDZ173 (Leniolisib) as a Tool to Study Liver MetabolitesBauer, Carsten; et al, Helvetica Chimica Acta, 2018, 101(6),
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Raw materials
- Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
- 1-Benzyl-3-(methoxycarbonyl)-4-piperidone
- methanimidamide
- 6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Preparation Products
6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
914612-23-0 (6-benzyl-4-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine) Related Products
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