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Chemistry
Organic Building Blocks
Aryls
benzoyl
5-Bromo-2,3-dimethoxybenzoic acid
Chemistry
Organic Building Blocks
Aryls
Bromides Ethers Carboxylic Acids Phenols Benzene Compounds
benzoyl
3-bromobenzoic acid 1-bromo-3-methoxybenzene 1,2-dimethoxybenzene benzoic acid 4-methoxyphenyl

[ CAS No. 72517-23-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 72517-23-8
Chemical Structure| 72517-23-8
Chemical Structure| 72517-23-8
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Quality Control of [ 72517-23-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
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Product Citations

Product Details of [ 72517-23-8 ]

CAS No. :72517-23-8 MDL No. :MFCD01321078
Formula : C9H9BrO4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZKMWQUDSDYOEJQ-UHFFFAOYSA-N
M.W : 261.07 Pubchem ID :322872
Synonyms :

Calculated chemistry of [ 72517-23-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.09
TPSA : 55.76 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.88
Log Po/w (XLOGP3) : 2.08
Log Po/w (WLOGP) : 2.16
Log Po/w (MLOGP) : 1.77
Log Po/w (SILICOS-IT) : 1.93
Consensus Log Po/w : 1.96

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.89
Solubility : 0.338 mg/ml ; 0.00129 mol/l
Class : Soluble
Log S (Ali) : -2.88
Solubility : 0.344 mg/ml ; 0.00132 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.88
Solubility : 0.343 mg/ml ; 0.00131 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.03

Safety of [ 72517-23-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 72517-23-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 72517-23-8 ]

[ 72517-23-8 ] Synthesis Path-Downstream   1~109

  • 1
  • [ 71295-21-1 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
[2]Synthetic Communications,1991,vol. 21,p. 1091 - 1095
[3]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 331 - 338
[4]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 6819 - 6829
[5]Journal of the Chemical Society,1923,vol. 123,p. 1584
[6]Journal of labelled compounds and radiopharmaceuticals,1999,vol. 42,p. S366-S368
[7]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 2
  • [ 72517-23-8 ]
  • [ 87120-72-7 ]
  • [ 153198-07-3 ]
Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 3707 - 3720
  • 3
  • [ 72517-23-8 ]
  • [ 86580-71-4 ]
  • 5-bromo-2,3-dimethoxy-N-<9-(4-fluorobenzyl)-9-azabicyclo<3.3.1>nonan-3β-yl>benzamide [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 3707 - 3720
  • 4
  • [ 72517-23-8 ]
  • [ 107188-91-0 ]
YieldReaction ConditionsOperation in experiment
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20℃; for 1.5h;Reflux; General procedure: Oxalyl chloride (0.24 mL, 2.7 mmol) was added in a dropwise manner to a solution of the carboxylic acid 7 (0.30 g, 1.81 mmol) in dry CH2Cl2 (10 mL) added with dry DMF (0.2 mL). The mixture was stirred at room temperature for 1 h and then it was refluxed for 30 min. The solvent was removed under reduced pressure, and the crude residue was dissolved in dry CH2Cl2 and added to a solution of the appropriate amine (2.7 mmol) and triethylamine (3.6 mmol) in CH2Cl2 (10 mL), at 0 C. The resulting mixture was heated under stirring to reflux for 1 h. Then, the solution was cooled and extracted with 3 N HCl. The aqueous layer was made basic with a solution of NaOH and extracted with CH2Cl2 (3 × 10 mL). The combined organic extracts were dried over Na2SO4 and concentrated under reduced pressure to give a crude mixture which was purified by column chromatography to achieve the final product.
Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2305 - 2309
[2]Medicinal Chemistry Research,1999,vol. 9,p. 355 - 373
[3]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
[4]Synthetic Communications,1991,vol. 21,p. 1091 - 1095
[5]European Journal of Medicinal Chemistry,1990,vol. 25,p. 507 - 517
[6]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
[7]Journal of Medicinal Chemistry,1991,vol. 34,p. 948 - 955
[8]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
[9]European Journal of Medicinal Chemistry,1994,vol. 29,p. 75 - 84
[10]European Journal of Medicinal Chemistry,1997,vol. 32,p. 385 - 396
[11]Journal of labelled compounds and radiopharmaceuticals,1999,vol. 42,p. S366-S368
[12]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 331 - 338
[13]Journal of labelled compounds and radiopharmaceuticals,2001,vol. 44,p. S547 - S549
[14]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
[15]Patent: US2005/107398,2005,A1 .Location in patent: Page/Page column 16
[16]European Journal of Medicinal Chemistry,2011,vol. 46,p. 4733 - 4741
  • 5
  • [ 58005-60-0 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 6
  • [ 72517-23-8 ]
  • [ 66411-51-6 ]
  • [ 107188-85-2 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2007,vol. 15,p. 6819 - 6829
  • 7
  • [ 72517-23-8 ]
  • [ 86232-46-4 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 8
  • [ 72517-23-8 ]
  • [ 86232-48-6 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 9
  • [ 72517-23-8 ]
  • [ 86232-40-8 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 10
  • [ 72517-23-8 ]
  • [ 86232-38-4 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 11
  • [ 72517-23-8 ]
  • [ 86232-42-0 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 12
  • [ 72517-23-8 ]
  • [ 86232-44-2 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 13
  • [ 86232-53-3 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of Organic Chemistry USSR (English Translation),1983,vol. 19,p. 458 - 463
    Zhurnal Organicheskoi Khimii,1983,vol. 19,p. 522 - 528
  • 14
  • [ 72517-23-8 ]
  • [ 159096-64-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 15
  • [ 72517-23-8 ]
  • [ 529485-43-6 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 16
  • [ 72517-23-8 ]
  • [ 529485-41-4 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 17
  • [ 72517-23-8 ]
  • [5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-diethyl-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 18
  • [ 72517-23-8 ]
  • 2-(2,3-dimethoxy-5-bromophenyl)-5-(1-piperidinylmethyl)-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 19
  • [ 72517-23-8 ]
  • 2-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-2,3-dihydro-1<i>H</i>-isoindole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 20
  • [ 72517-23-8 ]
  • 3-{1-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-pyrrolidin-2-yl}-pyridine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 21
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 22
  • [ 72517-23-8 ]
  • 1-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-4-phenyl-piperidine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 23
  • [ 72517-23-8 ]
  • dibenzyl-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 24
  • [ 72517-23-8 ]
  • 1-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-1,2,3,4,5,6-hexahydro-[2,3']bipyridinyl [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 25
  • [ 72517-23-8 ]
  • 4-benzyl-1-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-piperidine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 26
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-benzo-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 27
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 28
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-dimethoxy-8-methyl-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 29
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-dimethoxy-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 30
  • [ 72517-23-8 ]
  • 2-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-2,3,4,9-tetrahydro-1<i>H</i>-β-carboline [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 31
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-benzo-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 32
  • [ 72517-23-8 ]
  • 2-[5-(5-bromo-2,3-dimethoxy-phenyl)-1<i>H</i>-pyrrol-2-ylmethyl]-6-methoxy-2,3,4,9-tetrahydro-1<i>H</i>-β-carboline [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 33
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(4,5-dimethoxy-2-phenyl-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 34
  • [ 72517-23-8 ]
  • 2-(5-bromo-2,3-dimethoxyphenyl)-5-(2-cyanomethyl-4,5-dimethoxy-1,2,3,4-tetrahydroisoquinolino)methyl-1H-pyrrole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2003,vol. 11,p. 225 - 233
  • 35
  • [ 72517-23-8 ]
  • [ 134419-42-4 ]
Reference： [1]Medicinal Chemistry Research,1999,vol. 9,p. 355 - 373
  • 36
  • [ 72517-23-8 ]
  • [ 259814-04-5 ]
Reference： [1]Medicinal Chemistry Research,1999,vol. 9,p. 355 - 373
  • 37
  • [ 72517-23-8 ]
  • [ 259814-05-6 ]
Reference： [1]Medicinal Chemistry Research,1999,vol. 9,p. 355 - 373
  • 38
  • [ 72517-23-8 ]
  • N-(9-benzyl)-9-azabicyclo[3.3.1]nonan-3β-yl-(2,3-dimethoxy-5-iodo)benzamide [ No CAS ]
Reference： [1]Medicinal Chemistry Research,1999,vol. 9,p. 355 - 373
  • 39
  • [ 303-38-8 ]
  • [ 72517-23-8 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
[2]Journal of Organic Chemistry,2012,vol. 77,p. 10461 - 10467
[3]Chemistry - A European Journal,2015,vol. 21,p. 16887 - 16894
  • 40
  • [ 72517-23-8 ]
  • [ 164670-73-9 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 41
  • [ 72517-23-8 ]
  • [ 1026468-85-8 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 42
  • [ 72517-23-8 ]
  • [ 407610-18-8 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 43
  • [ 72517-23-8 ]
  • [ 1027904-03-5 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 44
  • [ 72517-23-8 ]
  • [ 407610-17-7 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 45
  • [ 72517-23-8 ]
  • [ 407610-20-2 ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 46
  • [ 72517-23-8 ]
  • [2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-diethyl-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 47
  • [ 72517-23-8 ]
  • 1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-2,3-dihydro-1<i>H</i>-indole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 48
  • [ 72517-23-8 ]
  • 1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-quinoline [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 49
  • [ 72517-23-8 ]
  • 2-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 50
  • [ 72517-23-8 ]
  • 1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-4-phenyl-piperidine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 51
  • [ 72517-23-8 ]
  • (1-Benzyl-piperidin-4-yl)-[1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3H-imidazol-4-yl]-meth-(E)-ylidene]-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 52
  • [ 72517-23-8 ]
  • 4-benzyl-1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-piperidine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 53
  • [ 72517-23-8 ]
  • (1-benzyl-piperidin-4-yl)-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 54
  • [ 72517-23-8 ]
  • 1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-4-(4-chloro-phenyl)-piperidin-4-ol [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 55
  • [ 72517-23-8 ]
  • (9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-[1-[2-(5-bromo-2,3-dimethoxy-phenyl)-3H-imidazol-4-yl]-meth-(E)-ylidene]-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 56
  • [ 72517-23-8 ]
  • 2-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 57
  • [ 72517-23-8 ]
  • (9-benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-[2-(5-bromo-2,3-dimethoxy-phenyl)-3<i>H</i>-imidazol-4-ylmethyl]-amine [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 58
  • [ 72517-23-8 ]
  • 2-(2,3-dimethoxy-5-bromophenyl)-4-(β-(2,3-dimethoxybenzamido)-bicyclo[3.3.1]nonan-9-azamethyl)imidazole [ No CAS ]
Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 3113 - 3122
  • 59
  • [ 72517-23-8 ]
  • 5-bromo-<i>N</i>-(2-mercapto-ethyl)-2,3-dimethoxy-benzamide [ No CAS ]
Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2001,vol. 44,p. S547 - S549
  • 60
  • [ 148-53-8 ]
  • XCH2(CO)CH3 X = halogen [ No CAS ]
  • [ 72517-23-8 ]
Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2001,vol. 44,p. S547 - S549
  • 61
  • [ 86-51-1 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2001,vol. 44,p. S547 - S549
[2]Journal of the Chemical Society,1923,vol. 123,p. 1584
  • 62
  • [ 5034-74-2 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 331 - 338
[2]Synthetic Communications,1991,vol. 21,p. 1091 - 1095
[3]Journal of the Chemical Society,1923,vol. 123,p. 1584
  • 63
  • [ 72517-23-8 ]
  • [ 107188-74-9 ]
Reference： [1]Journal of labelled compounds and radiopharmaceuticals,2000,vol. 43,p. 331 - 338
[2]Journal of labelled compounds and radiopharmaceuticals,1999,vol. 42,p. S366-S368
[3]Synthetic Communications,1991,vol. 21,p. 1091 - 1095
[4]Journal of Medicinal Chemistry,1990,vol. 33,p. 2305 - 2309
[5]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 64
  • [ 72517-23-8 ]
  • (S)-5-bromo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide [ No CAS ]
Reference： [1]European Journal of Medicinal Chemistry,1997,vol. 32,p. 385 - 396
  • 65
  • [ 72517-23-8 ]
  • (R)-5-bromo-2,3-dimethoxy-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamide [ No CAS ]
Reference： [1]European Journal of Medicinal Chemistry,1997,vol. 32,p. 385 - 396
  • 66
  • [ 72517-23-8 ]
  • [ 155644-84-1 ]
Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 75 - 84
  • 67
  • [ 72517-23-8 ]
  • (5-bromo-2-hydroxy-3-methoxyphenyl)(2-thienyl)methanone oxime [ No CAS ]
Reference： [1]European Journal of Medicinal Chemistry,1994,vol. 29,p. 75 - 84
  • 68
  • [ 72517-23-8 ]
  • [ 153198-08-4 ]
Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 3707 - 3720
  • 69
  • [ 72517-23-8 ]
  • 5-bromo-2,3-dimethoxy-N-<1-(4-fluorobenzyl)piperidin-4-yl>benzamide [ No CAS ]
Reference： [1]Journal of Medicinal Chemistry,1993,vol. 36,p. 3707 - 3720
  • 70
  • [ 148-53-8 ]
  • [ 72517-23-8 ]
Reference： [1]Synthetic Communications,1991,vol. 21,p. 1091 - 1095
  • 71
  • [ 72517-23-8 ]
  • [ 107188-83-0 ]
Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 948 - 955
  • 72
  • [ 72517-23-8 ]
  • [ 107188-75-0 ]
Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2305 - 2309
  • 73
  • [ 72517-23-8 ]
  • [ 107188-82-9 ]
Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 948 - 955
  • 74
  • [ 72517-23-8 ]
  • [ 130880-38-5 ]
Reference： [1]European Journal of Medicinal Chemistry,1990,vol. 25,p. 507 - 517
  • 75
  • [ 72517-23-8 ]
  • [ 90919-49-6 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 76
  • [ 72517-23-8 ]
  • [ 5653-56-5 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 77
  • [ 72517-23-8 ]
  • [ 87964-82-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 78
  • [ 72517-23-8 ]
  • [ 72517-22-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 79
  • [ 72517-23-8 ]
  • [ 110582-83-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 80
  • [ 72517-23-8 ]
  • [ 107189-05-9 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 81
  • [ 72517-23-8 ]
  • [ 107189-06-0 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 82
  • [ 72517-23-8 ]
  • 5-Butyl-2,3-dimethoxy-benzoyl chloride [ No CAS ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 83
  • [ 72517-23-8 ]
  • 2,3-Dimethoxy-5-methylsulfanyl-benzoyl chloride [ No CAS ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 84
  • [ 72517-23-8 ]
  • [ 83130-32-9 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 85
  • [ 72517-23-8 ]
  • [ 129117-51-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 86
  • [ 72517-23-8 ]
  • [ 107189-01-5 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 87
  • [ 72517-23-8 ]
  • [ 107188-96-5 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 88
  • [ 72517-23-8 ]
  • [ 107189-03-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 89
  • [ 72517-23-8 ]
  • [ 107189-00-4 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 90
  • [ 72517-23-8 ]
  • [ 107188-76-1 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 91
  • [ 72517-23-8 ]
  • [ 107189-04-8 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 92
  • [ 72517-23-8 ]
  • [ 107188-78-3 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 93
  • [ 72517-23-8 ]
  • [ 107188-87-4 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 94
  • [ 72517-23-8 ]
  • [ 107189-02-6 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 95
  • [ 72517-23-8 ]
  • [ 107188-77-2 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 96
  • [ 72517-23-8 ]
  • [ 129117-52-8 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 97
  • [ 72517-23-8 ]
  • [ 107188-85-2 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 98
  • [ 72517-23-8 ]
  • [ 107188-80-7 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 99
  • [ 72517-23-8 ]
  • [ 107188-88-5 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 100
  • [ 72517-23-8 ]
  • 5-Bromo-2,3-dimethoxy-N-((S)-1-trityl-pyrrolidin-2-ylmethyl)-benzamide [ No CAS ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 101
  • [ 72517-23-8 ]
  • [ 76959-16-5 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 102
  • [ 72517-23-8 ]
  • [ 107188-81-8 ]
Reference： [1]Helvetica Chimica Acta,1990,vol. 73,p. 417 - 425
  • 103
  • [ 5653-67-8 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of the Chemical Society,1926,p. 650
  • 104
  • [ 72517-23-8 ]
  • [ 1335018-88-6 ]
Reference： [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 4733 - 4741
  • 105
  • [ 72517-23-8 ]
  • [ 1335092-92-6 ]
Reference： [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 4733 - 4741
  • 106
  • [ 64-17-5 ]
  • [ 72517-23-8 ]
  • [ 1404548-73-7 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10461 - 10467
  • 107
  • [ 72517-15-8 ]
  • [ 72517-23-8 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10461 - 10467
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  • [ 72517-23-8 ]
  • [ 1404548-74-8 ]
Reference： [1]Journal of Organic Chemistry,2012,vol. 77,p. 10461 - 10467
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  • [ 72517-23-8 ]
  • [ 22795-99-9 ]
  • [ 107188-74-9 ]
YieldReaction ConditionsOperation in experiment
87.5% Dissolve 0.486 g (1.86 mmol) of 5-bromo-2,3-dimethoxybenzoic acid in 10 ml of dry toluene, add 0.39 ml of thionyl chloride, and heat for 1 hour under the protection of argon at 60 ° C., evaporate dry,After addition of 10ml of anhydrous DCM, 0.286g of (S) -2-aminomethyl-1-ethylpyrrole was added dropwise to the ice-water bath. After the reaction was stirred at room temperature for 8 hours, it was diluted with 50ml of DCM, washed with saturated aqueous NaHCO3 Washed three times,The organic layer was dried over Na2SO4, filtered and evaporated to give a yellowish oil which was separated on a medium pressure silica gel column with mobile phase petroleum ether: ethyl acetate 2: 1. The product fractions were collected and evaporated to give 1.628 g of a slightly yellow oil 87.5percent.
Reference： [1]Patent: CN106366075,2017,A .Location in patent: Paragraph 0242; 0243; 0244

Tags: 72517-23-8 synthesis path| 72517-23-8 SDS| 72517-23-8 COA| 72517-23-8 purity| 72517-23-8 application| 72517-23-8 NMR| 72517-23-8 COA| 72517-23-8 structure

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Isomers
Categories
Chemistry
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Benzene Compounds
benzoyl
Chemistry
Organic Building Blocks
Bromides
1-bromo-3-methoxybenzene
Chemistry
Organic Building Blocks
Bromides
3-bromobenzoic acid
Chemistry
Organic Building Blocks
Carboxylic Acids
3-bromobenzoic acid
Chemistry
Organic Building Blocks
Carboxylic Acids
benzoic acid
Chemistry
Organic Building Blocks
Ethers
1,2-dimethoxybenzene
Chemistry
Organic Building Blocks
Ethers
1-bromo-3-methoxybenzene
Chemistry
Organic Building Blocks
Phenols
4-methoxyphenyl
Chemistry
Organic Building Blocks
Aryls

Technical Information

• Acetal Formation • Acid-Catalyzed α -Halogenation of Ketones • Acidity of Phenols • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcohols React with PX3 • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • Amide Hydrolysis • Amide Hydrolysis • An Alkane are Prepared from an Haloalkane • Anhydride Hydrolysis • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Birch Reduction of Benzene • Blanc Chloromethylation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Chan-Lam Coupling Reaction • Complete Benzylic Oxidations of Alkyl Chains • Complete Benzylic Oxidations of Alkyl Chains • Conjugate Additions of p-Benzoquinones • Conversion of Amino with Nitro • Convert Haloalkanes into Alcohols by SN2 • Decarboxylation of Substituted Propanedioic • Decomposition of Arenediazonium Salts to Give Phenols • Deprotection of Cbz-Amino Acids • Deprotonation of Methylbenzene • Diazo Coupling • Directing Electron-Donating Effects of Alkyl • Electrophilic Chloromethylation of Polystyrene • Electrophilic Substitution of the Phenol Aromatic Ring • Esters Are Reduced by LiAlH4 to Give Alcohols • Esters Hydrolyze to Carboxylic Acids and Alcohols • Ether Synthesis by Oxymercuration-Demercuration • Etherification Reaction of Phenolic Hydroxyl Group • Ethers Synthesis from Alcohols with Strong Acids • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Acyl Chlorides • Friedel-Crafts Alkylation of Benzene with Carboxylic Anhydrides • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Friedel-Crafts Alkylation Using Alkenes • Friedel-Crafts Alkylations of Benzene Using Alkenes • Friedel-Crafts Alkylations Using Alcohols • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Grignard Reagents Transform Esters into Alcohols • Groups that Withdraw Electrons Inductively Are Deactivating and Meta Directing • Halogenation of Alkenes • Halogenation of Benzene • Halogenation of Phenols • Hiyama Cross-Coupling Reaction • Hunsdiecker-Borodin Reaction • Hydrogenation to Cyclohexane • Hydrogenolysis of Benzyl Ether • Kinetics of Alkyl Halides • Kolbe-Schmitt Reaction • Kumada Cross-Coupling Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitration of Benzene • Nitriles Hydrolyze to Carboxylic Acids • Nomenclature of Ethers • Nucleophilic Aromatic Substitution • Nucleophilic Aromatic Substitution with Amine • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Oxidation of Phenols • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Pechmann Coumarin Synthesis • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Preparation of Ethers • Primary Ether Cleavage with Strong Nucleophilic Acids • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions of Dihalides • Reactions of Ethers • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reductive Removal of a Diazonium Group • Reimer-Tiemann Reaction • Reverse Sulfonation——Hydrolysis • Ring Opening of Oxacyclopropane • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Sulfonation of Benzene • Suzuki Coupling • Synthesis of Alcohols from Tertiary Ethers • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Conversion of Carboxylic Acids into Acyl Halides • The Nitro Group Conver to the Amino Function • The Nucleophilic Opening of Oxacyclopropanes • Ugi Reaction • Vilsmeier-Haack Reaction • Williamson Ether Syntheses
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