- An optimized synthesis of the potent and selective Pak1 inhibitor FRAX-1036Koval, Alexander B.; et al, Tetrahedron Letters, 2016, 57(3), 449-451
Cas no 916516-89-7 (2-(4-Bromo-2-chlorophenyl)acetic acid)
916516-89-7 structure
Product Name:2-(4-Bromo-2-chlorophenyl)acetic acid
CAS No:916516-89-7
MF:C8H6BrClO2
MW:249.489040851593
MDL:MFCD11847409
CID:837929
PubChem ID:53403617
Update Time:2024-10-26
2-(4-Bromo-2-chlorophenyl)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Bromo-2-chlorophenyl)acetic acid
- #NAME?
- 4-bromo-2-chloroBenzeneacetic acid
- 4-Bromo-2-chlorophenylacetic acid
- Benzeneacetic acid, 4-bromo-2-chloro-
- (4-bromo-2-chlorophenyl)acetic acid
- ZCWUQSVZPLUCOZ-UHFFFAOYSA-N
- CL8783
- AM83179
- (4-bromo-2-chloro-phenyl)-acetic acid
- AB0065827
- Z5343
- ST24021749
- Z1741980103
- 4-Bromo-2-chlorobenzeneacetic acid (ACI)
- 916516-89-7
- SCHEMBL473923
- AS-20097
- AKOS015999926
- MFCD11847409
- SY025735
- CS-W005417
- EN300-345993
- DTXSID90695207
- 2-(4-Bromo-2-chlorophenyl)aceticacid
- DB-340105
- Z1269137680
-
- MDL： MFCD11847409
- Inchi： 1S/C8H6BrClO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
- InChI Key： ZCWUQSVZPLUCOZ-UHFFFAOYSA-N
- SMILES： O=C(CC1C(Cl)=CC(Br)=CC=1)O
Computed Properties
- Exact Mass: 247.92400
- Monoisotopic Mass: 247.92397g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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
- XLogP3: 3
- Topological Polar Surface Area: 37.3
Experimental Properties
- PSA: 37.30000
- LogP: 2.72960
2-(4-Bromo-2-chlorophenyl)acetic acid Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2-(4-Bromo-2-chlorophenyl)acetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM194689-5g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 95+% | 5g |
$122 | 2021-06-16 | |
| Chemenu | CM194689-10g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 95+% | 10g |
$184 | 2021-06-16 | |
| Chemenu | CM194689-25g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 95+% | 25g |
$369 | 2021-06-16 | |
| Chemenu | CM194689-100g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 95+% | 100g |
$926 | 2021-06-16 | |
| TRC | B700315-10mg |
2-(4-Bromo-2-chlorophenyl)acetic Acid |
916516-89-7 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B700315-50mg |
2-(4-Bromo-2-chlorophenyl)acetic Acid |
916516-89-7 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B700315-100mg |
2-(4-Bromo-2-chlorophenyl)acetic Acid |
916516-89-7 | 100mg |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GU192-250mg |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 98% | 250mg |
101CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GU192-5g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 98% | 5g |
720.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-GU192-1g |
2-(4-Bromo-2-chlorophenyl)acetic acid |
916516-89-7 | 98% | 1g |
190.0CNY | 2021-07-12 |
2-(4-Bromo-2-chlorophenyl)acetic acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Water ; 12 - 18 h, reflux; cooled
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Water Solvents: Dimethylformamide ; 0 °C; overnight, rt; rt → 0 °C
1.2 Reagents: Sodium bicarbonate , Water
2.1 Reagents: Potassium hydroxide Solvents: Water ; 12 - 18 h, reflux; cooled
2.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.2 Reagents: Sodium bicarbonate , Water
2.1 Reagents: Potassium hydroxide Solvents: Water ; 12 - 18 h, reflux; cooled
2.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
Reference
- An optimized synthesis of the potent and selective Pak1 inhibitor FRAX-1036Koval, Alexander B.; et al, Tetrahedron Letters, 2016, 57(3), 449-451
Production Method 3
Reaction Conditions
1.1 Reagents: Phosphorus tribromide Solvents: Dichloromethane ; 0 °C; overnight, 0 °C → rt; rt → 0 °C
1.2 Reagents: Water ; 0 °C
2.1 Reagents: Water Solvents: Dimethylformamide ; 0 °C; overnight, rt; rt → 0 °C
2.2 Reagents: Sodium bicarbonate , Water
3.1 Reagents: Potassium hydroxide Solvents: Water ; 12 - 18 h, reflux; cooled
3.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
1.2 Reagents: Water ; 0 °C
2.1 Reagents: Water Solvents: Dimethylformamide ; 0 °C; overnight, rt; rt → 0 °C
2.2 Reagents: Sodium bicarbonate , Water
3.1 Reagents: Potassium hydroxide Solvents: Water ; 12 - 18 h, reflux; cooled
3.2 Reagents: Hydrochloric acid Solvents: Water ; acidified
Reference
- An optimized synthesis of the potent and selective Pak1 inhibitor FRAX-1036Koval, Alexander B.; et al, Tetrahedron Letters, 2016, 57(3), 449-451
2-(4-Bromo-2-chlorophenyl)acetic acid Raw materials
2-(4-Bromo-2-chlorophenyl)acetic acid Preparation Products
2-(4-Bromo-2-chlorophenyl)acetic acid Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
916516-89-7 (2-(4-Bromo-2-chlorophenyl)acetic acid) Related Products
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