- Synergy between chemo- and bio-catalysts in multi-step transformationsCaiazzo, Aldo; Garcia, Paula M. L.; Wever, Ron; van Hest, Jan C. M.; Rowan, Alan E.; et al, Organic & Biomolecular Chemistry, 2009, 7(14), 2926-2932
Cas no 90561-76-5 (N-(4-Bromophenyl)methylacetamide)
90561-76-5 structure
Product Name:N-(4-Bromophenyl)methylacetamide
CAS No:90561-76-5
MF:C9H10BrNO
MW:228.08580160141
CID:858972
PubChem ID:15640188
Update Time:2024-10-26
N-(4-Bromophenyl)methylacetamide Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N-[(4-bromophenyl)methyl]-
- N-acetyl-4-bromobenzylamine
- Acetamide, N-(p-bromobenzyl)- (6CI, 7CI)
- N-[(4-Bromophenyl)methyl]acetamide (ACI)
- N-(4-Bromobenzyl)acetamide
- C78568
- EN300-101529
- Z816034502
- 90561-76-5
- SB79635
- DTXSID701297837
- SCHEMBL540769
- 1Z-0016
- DA-40688
- CS-0197491
- MFCD14659390
- N-[(4-bromophenyl)methyl]acetamide
- AKOS008842263
- N-(4-Bromophenyl)methylacetamide
-
- Inchi: 1S/C9H10BrNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
- InChI Key: HBBBWKUVJSIFKV-UHFFFAOYSA-N
- SMILES: O=C(C)NCC1C=CC(Br)=CC=1
Computed Properties
- Exact Mass: 226.99458g/mol
- Monoisotopic Mass: 226.99458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 153
- 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: 1.6
- Topological Polar Surface Area: 29.1?2
N-(4-Bromophenyl)methylacetamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N498428-25mg |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 25mg |
$ 50.00 | 2022-06-02 | ||
| TRC | N498428-50mg |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 50mg |
$ 95.00 | 2022-06-02 | ||
| TRC | N498428-250mg |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 250mg |
$ 320.00 | 2022-06-02 | ||
| Apollo Scientific | OR32516-1g |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 97% | 1g |
£192.00 | 2025-02-19 | |
| A2B Chem LLC | AH98877-10g |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 95% | 10g |
$1584.00 | 2024-05-20 | |
| 1PlusChem | 1P00H519-500mg |
AcetaMide, N-[(4-broMophenyl)Methyl]- |
90561-76-5 | 97% | 500mg |
$92.00 | 2024-04-20 | |
| 1PlusChem | 1P00H519-5g |
AcetaMide, N-[(4-broMophenyl)Methyl]- |
90561-76-5 | 97% | 5g |
$363.00 | 2024-04-20 | |
| Aaron | AR00H59L-500mg |
AcetaMide, N-[(4-broMophenyl)Methyl]- |
90561-76-5 | 97% | 500mg |
$93.00 | 2025-01-24 | |
| Aaron | AR00H59L-5g |
AcetaMide, N-[(4-broMophenyl)Methyl]- |
90561-76-5 | 97% | 5g |
$422.00 | 2025-01-24 | |
| Apollo Scientific | OR32516-250mg |
N-[(4-Bromophenyl)methyl]acetamide |
90561-76-5 | 97% | 250mg |
£79.00 | 2025-02-19 |
N-(4-Bromophenyl)methylacetamide Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: Triacylglycerol lipase Solvents: Toluene ; 2 h, 100 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane , Tetrahydrofuran ; 0 °C; 3 h, 0 °C → rt
Reference
- N-Benzylpiperidinol derivatives as novel USP7 inhibitors: structure-activity relationships and X-ray crystallographic studiesLi, Minglei; Liu, Shengjie; Chen, Hui; Zhou, Xinyu; Zhou, Jin; et al, European Journal of Medicinal Chemistry, 2020, 199,
Production Method 3
Reaction Conditions
1.1 Reagents: Trifluoroacetic acid , Tetrabutylammonium hexafluorophosphate , Water Catalysts: Cyclopropenylium, 1,2,3-tris[(2R,6S)-2,6-dimethyl-1-piperidinyl]-, rel-, perchlo… Solvents: Acetonitrile ; 48 h, rt
Reference
- C-H Amination via Electrophotocatalytic Ritter-type ReactionShen, Tao; Lambert, Tristan H., Journal of the American Chemical Society, 2021, 143(23), 8597-8602
Production Method 4
Reaction Conditions
1.1 Catalysts: 1,10-Phenanthroline, monohydrate , Copper fluoride (CuF2) Solvents: Chlorobenzene ; 40 bar, rt; 24 h, 140 °C
Reference
- An unexpected copper-catalyzed carbonylative acetylation of aminesLi, Yahui; Wang, Changsheng; Zhu, Fengxiang; Wang, Zechao; Soule, Jean-Francois; et al, Chemical Communications (Cambridge, 2017, 53(1), 142-144
Production Method 5
Reaction Conditions
1.1 Reagents: Methanesulfonic acid , Ammonia , Water Catalysts: Tetrabutylammonium hexafluorophosphate Solvents: Methanol
Reference
- Continuous direct anodic flow oxidation of aromatic hydrocarbons to benzyl amidesKabeshov, Mikhail A.; Musio, Biagia; Ley, Steven V., Reaction Chemistry & Engineering, 2017, 2(6), 822-825
Production Method 6
Reaction Conditions
1.1 Reagents: Tetraethylammonium bromide , Acetic anhydride Solvents: Acetonitrile
Reference
- Cathodic reduction of aliphatic azides and of azides activated by olefinic and carbonyl groupsKnittel, Dierk, Monatshefte fuer Chemie, 1986, 117(5), 679-87
Production Method 7
Reaction Conditions
1.1 Catalysts: Silica (reaction products with 3-aminopropyltrimethoxysilane and chlorosulfonic acid) , Chlorosulfonic acid (reaction products with 3-aminopropyltrimethoxysilane and silica) , Aminopropyltrimethoxysilane (reaction products with silica and chlorosulfonic acid) ; 60 min, 80 °C
Reference
- Preparation of different amides via Ritter reaction from alcohols and nitriles in the presence of silica-bonded N-propylsulphamic acid (SBNPSA) under solvent-free conditionsShakeri, Maryam-Sadat; Tajik, Hassan; Niknam, Khodabakhsh, Journal of Chemical Sciences (Bangalore, 2012, 124(5), 1025-1032
Production Method 8
Reaction Conditions
1.1 Catalysts: Calcium bisulfate Solvents: Acetonitrile ; 2.0 h, 80 °C
Reference
- Ca(HSO4)2 mediated conversion of alcohols into N-substituted amides under heterogeneous conditions: a modified Ritter reactionNiknam, K.; Zolfigol, M. A.; Sadabadi, T., Journal of the Iranian Chemical Society, 2007, 4(2), 199-204
Production Method 9
Reaction Conditions
1.1 Reagents: Water Catalysts: 4-tert-Butylbenzoic acid , Iodobenzene , Boron trifluoride , Selectfluor Solvents: Acetonitrile ; 16 h, 25 °C
Reference
- C(sp3)-H Ritter amination by excitation of in-situ generated iodine(III)-BF3 complexesNarobe, Rok; Murugesan, Kathiravan; Haag, Christoph; Schirmer, Tobias Emanuel; Koenig, Burkhard, Chemical Communications (Cambridge, 2022, 58(63), 8778-8781
Production Method 10
Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Dichloromethane ; 5 min, 0 °C
1.2 5 h, 0 °C → rt
1.2 5 h, 0 °C → rt
Reference
- Distal meta-alkenylation of formal amines enabled by catalytic use of hydrogen-bonding anionic ligandsGoswami, Nupur; Sinha, Soumya Kumar; Mondal, Partha; Adhya, S.; Datta, Ayan; et al, Chem, 2023, 9(4), 989-1003
Production Method 11
Reaction Conditions
1.1 Reagents: Tetraethylammonium tetrafluoroborate , Potassium bromide Solvents: Dichloromethane , Water ; 2 h
Reference
- Amino acids in electrochemical metal-free benzylic C-H amidationStrekalova, Sofia ; Kononov, Alexander; Budnikova, Yulia, Tetrahedron Letters, 2022, 102,
Production Method 12
Reaction Conditions
1.1 Reagents: Boron trifluoride , Water , Selectfluor Catalysts: Iodobenzene Solvents: Acetonitrile ; 16 h, 25 °C
Reference
- Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)-Boron Lewis Acid CatalysisNarobe, Rok; Murugesan, Kathiravan; Schmid, Simon; Koenig, Burkhard, ACS Catalysis, 2022, 12(1), 809-817
Production Method 13
Reaction Conditions
1.1 Reagents: Sulfuric acid , 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-bromo-, sodium salt (1:1) Solvents: Water ; 2.5 h, 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified
1.3 Reagents: Pyridine ; 2 h, rt
1.4 Reagents: Water
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified
1.3 Reagents: Pyridine ; 2 h, rt
1.4 Reagents: Water
Reference
- Chemistry of unprotected amino acids in aqueous solution: direct bromination of aromatic amino acids with bromoisocyanuric acid sodium salt under strong acidic conditionYokoyama, Yuusaku; Yamaguchi, Tomotsugu; Sato, Masanori; Kobayashi, Eri; Murakami, Yasuoki; et al, Chemical & Pharmaceutical Bulletin, 2006, 54(12), 1715-1719
N-(4-Bromophenyl)methylacetamide Raw materials
- 4-Bromobenzyl alcohol
- 4-Bromobenzylamine
- 2-(4-bromophenyl)acetic acid
- 1-(azidomethyl)-4-bromobenzene
N-(4-Bromophenyl)methylacetamide Preparation Products
N-(4-Bromophenyl)methylacetamide Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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