Cas no 954239-15-7 ((2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER)

(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER structure
954239-15-7 structure
Product Name:(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No:954239-15-7
MF:C11H15BrN2O2
MW:287.153002023697
MDL:MFCD09701256
CID:1985854
Update Time:2023-09-12

(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Chemical and Physical Properties

Names and Identifiers

    • (2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
    • (2-Amino-4-bromophenyl)carbamic acid tert-butyl ester
    • tert-butyl 2-amino-4-bromophenylcarbamate
    • 1,1-Dimethylethyl N-(2-amino-4-bromophenyl)carbamate (ACI)
    • tert-Butyl (2-amino-4-bromophenyl)carbamate
    • MDL: MFCD09701256
    • Inchi: 1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,13H2,1-3H3,(H,14,15)
    • InChI Key: XHYBSLDDHZDSCI-UHFFFAOYSA-N
    • SMILES: O=C(NC1C(N)=CC(Br)=CC=1)OC(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4

(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Pricemore >>

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(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Iron ,  Ammonium chloride Solvents: Tetrahydrofuran ,  Water ;  17 h, rt
Reference
Phenyl-sulfamoyl benzoic acids as ERAP1 modulators and preparation
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Zinc ,  Ammonium chloride Solvents: Dimethylformamide ,  Water ;  2 h, 80 °C
Reference
Preparation of 1,2,3-triazole compound as histone deacetylase inhibitor
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Catalysts: Iron chloride (FeCl3) Solvents: Methanol ,  Water ;  rt; 3 h, reflux
Reference
Synthesis and molecular modeling studies of novel tert-butyl 2,4-disubstituted carboxamido phenylcarbamate derivatives and evaluation of their antimicrobial activity
Pochampally, Jalapathi; Valeru, Anil; Macha, Ramesh; Bhavani, A. K. D.; Nalla, Umapathi; et al, Pharma Chemica, 2014, 6(1), 61-76

Production Method 4

Reaction Conditions
1.1 Reagents: Zinc ,  Ferrous sulfate heptahydrate ,  Ammonium chloride Solvents: Ethanol ,  Water ;  rt → 50 °C; 3 h, 50 °C
Reference
Preparation of benzodiazepinones as metabotropic glutamate receptor modulators useful in the treatment of CNS disorders
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Production Method 5

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl acetate
Reference
Image-Guided Synthesis Reveals Potent Blood-Brain Barrier Permeable Histone Deacetylase Inhibitors
Seo, Young Jun; Kang, Yeona; Muench, Lisa; Reid, Alicia; Caesar, Shannon; et al, ACS Chemical Neuroscience, 2014, 5(7), 588-596

Production Method 6

Reaction Conditions
1.1 Reagents: Zinc ,  Ammonium chloride Solvents: Methanol ,  Water ;  30 min, 80 °C; 2 h, rt
Reference
Design, synthesis and evaluation of anti-tumor activities of chidamide derivatives
Zhang, Xiangna; He, Feng; Zhang, Qiuqiong; Lu, Jiahui; Xu, A-na; et al, Youji Huaxue, 2019, 39(7), 1983-1989

Production Method 7

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Catalysts: Iron chloride (FeCl3) Solvents: Methanol ;  rt → reflux; 3 h, reflux
Reference
Synthesis, characterization and antibacterial evaluation of few 2,3-substituted quinoxalines
Reddy, B. Jayachandra; Reddy, M. C. Somasekhara, Journal of the Chilean Chemical Society, 2010, 55(4), 483-485

Production Method 8

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran ;  overnight, rt
Reference
Nitrogen-containing heterocyclic derivative, neuroprotective agent, and pharmaceutical composition for cancer treatment
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Production Method 9

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Acetonitrile ;  15 min, rt
1.2 2 h, rt
Reference
Synthesis of 2-Alkoxy/Thioalkoxy Benzo[d]imidazoles and 2-Thione Benzo[d]imidazoles via a Phase-Based, Chemoselective Reaction
Yoon, Hyo-Jeong; Yang, Seung-Ju; Gong, Young-Dae, ACS Combinatorial Science, 2017, 19(12), 738-747

Production Method 10

Reaction Conditions
1.1 Reagents: Iron Solvents: Acetic acid ;  rt; 30 min, reflux
Reference
Heteroaryl compounds as metabotropic glutamate receptor negative allosteric modulators and their preparation
, World Intellectual Property Organization, , ,

Production Method 11

Reaction Conditions
1.1 Catalysts: 4-(Dimethylamino)pyridine Solvents: Tetrahydrofuran ;  72 h, rt
1.2 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  rt → 0 °C; 0 °C; 48 h, 0 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 7
1.4 Reagents: Zinc ,  Ammonium chloride Solvents: Dimethylformamide ,  Water ;  30 min, 80 °C; 2 h, rt
Reference
Benzimidazole derivatives, method for the production thereof, their use as FXR agonists and pharmaceutical preparations containing the same
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(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Raw materials

(2-AMINO-4-BROMO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER Preparation Products

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