- Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor with Weak Agonist Activity and Diverse Modulatory ProfilesDallagnol, Juliana C. C.; et al, Journal of Medicinal Chemistry, 2018, 61(7), 2875-2894
Cas no 916766-83-1 (3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole)
![3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole structure](https://ossimg.kuujia.com/scimg/917000/916766-83-1x500.png)
916766-83-1 structure
Product Name:3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole
CAS No:916766-83-1
MF:C11H11ClN2
MW:206.671441316605
MDL:MFCD09702351
CID:802987
PubChem ID:24229472
Update Time:2024-10-26
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3-[4-(chloromethyl)phenyl]-1-methyl-
- 3-[4-(chloromethyl)phenyl]-1-methyl-1H-pyrazole
- 3-[4-(chloromethyl)phenyl]-1-methylpyrazole
- 3-(4-(chloromethyl)phenyl)-1-methyl-1H-pyrazole
- AK327338
- YLJMPTWMRVXTQQ-UHFFFAOYSA-N
- KM3052
- SBB093766
- FCH1327290
- OR12394
- AX8083394
- Y4693
- 3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole (ACI)
- SB39909
- AKOS027327914
- TQR0773
- SCHEMBL14122703
- F11716
- CS-0055099
- C11H11ClN2
- J-511472
- 3-(4-Chloromethyl-phenyl)-1-methyl-1H-pyrazole
- 916766-83-1
- MFCD09702351
- DS-11954
- DTXSID90640191
- DB-010770
- 3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole
-
- MDL： MFCD09702351
- Inchi： 1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3
- InChI Key： YLJMPTWMRVXTQQ-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(C2C=CN(C)N=2)=CC=1
Computed Properties
- Exact Mass: 206.06100
- Monoisotopic Mass: 206.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 178
- 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: 17.8
- XLogP3: 2.3
Experimental Properties
- Density: 1.17
- Melting Point: 78 °C
- Boiling Point: 343.3°C at 760 mmHg
- Flash Point: 161.4°C
- Refractive Index: 1.589
- PSA: 17.82000
- LogP: 2.82590
- Sensitiveness: Lachrymatory
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Security Information
- Hazard Statement： Corrosive/Lachrymatory
-
Hazardous Material Identification：
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Customs Data
- HS CODE：2933199090
- Customs Data：
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. 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:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003171-5g |
3-(4-(Chloromethyl)phenyl)-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 5g |
$309.00 | 2023-08-31 | |
| Alichem | A049003171-10g |
3-(4-(Chloromethyl)phenyl)-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 10g |
$505.00 | 2023-08-31 | |
| TRC | C598265-10mg |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C598265-50mg |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 50mg |
$ 160.00 | 2022-06-06 | ||
| TRC | C598265-100mg |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 100mg |
$ 230.00 | 2022-06-06 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C893068-10g |
3-(4-(Chloromethyl)phenyl)-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 10g |
710.10 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BP926-5g |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 5g |
668CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BP926-200mg |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 200mg |
71.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BP926-1g |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole |
916766-83-1 | 97% | 1g |
197.0CNY | 2021-07-10 | |
| Chemenu | CM255758-5g |
3-(4-(Chloromethyl)phenyl)-1-methyl-1H-pyrazole |
916766-83-1 | 95+% | 5g |
$97 | 2021-08-04 |
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Dichloromethane ; 0 °C; 0 °C → rt; 1 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium carbonate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Tetrahydrofuran , Water ; 6 h, reflux
2.1 Reagents: Thionyl chloride Solvents: Dichloromethane ; 0 °C; 0 °C → rt; 1 h, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ; rt
2.1 Reagents: Thionyl chloride Solvents: Dichloromethane ; 0 °C; 0 °C → rt; 1 h, rt
2.2 Reagents: Sodium bicarbonate Solvents: Water ; rt
Reference
- Synthesis and Pharmacological Evaluation of Heterocyclic Carboxamides: Positive Allosteric Modulators of the M1 Muscarinic Acetylcholine Receptor with Weak Agonist Activity and Diverse Modulatory ProfilesDallagnol, Juliana C. C.; et al, Journal of Medicinal Chemistry, 2018, 61(7), 2875-2894
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Raw materials
- 4-Bromobenzyl alcohol
- [4-(1-methyl-1H-pyrazol-3-yl)phenyl]methanol
- 1-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Preparation Products
3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
916766-83-1 (3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole) Related Products
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