Home Cart 0 Sign in  

[ CAS No. 85743-02-8 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 85743-02-8
Chemical Structure| 85743-02-8
Structure of 85743-02-8 * Storage: {[proInfo.prStorage]}

Quality Control of [ 85743-02-8 ]

Related Doc. of [ 85743-02-8 ]

SDS
Alternatived Products of [ 85743-02-8 ]
Alternatived Products of [ 85743-02-8 ]

Product Details of [ 85743-02-8 ]

CAS No. :85743-02-8 MDL No. :MFCD08690068
Formula : C9H9NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :195.17 g/mol Pubchem ID :13349386
Synonyms :

Safety of [ 85743-02-8 ]

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 [ 85743-02-8 ]

  • Upstream synthesis route of [ 85743-02-8 ]
  • Downstream synthetic route of [ 85743-02-8 ]

[ 85743-02-8 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 55737-66-1 ]
  • [ 85743-02-8 ]
YieldReaction ConditionsOperation in experiment
75% With hydrogen In methanol; water for 16 h; Preparative Example 12Step 12-Amino-4-(methoxycarbonyl)benzoic Acid.12BA suspension of 4-(methoxycarbonyl)-2-nitrobenzoic acid (12A) (10.0 g, 44.4 mmol), and 5percent Pd/C (4.0 g) in 1 :1 MeOH/H20 (50 mL) was subjected to hydrogenation conditions (H2, 50 psi) for 16 h. The reaction was filtered through a pad a CELITE, washed with MeOH, and concentrated to yield 12B (6.51 g, yield = 75percent): MS (M+H) = 196.
Reference: [1] Patent: WO2012/51036, 2012, A1, . Location in patent: Page/Page column 79
[2] Patent: US5541178, 1996, A,
[3] Monatshefte fuer Chemie, 1907, vol. 28, p. 822
  • 2
  • [ 67-56-1 ]
  • [ 10312-55-7 ]
  • [ 85743-02-8 ]
YieldReaction ConditionsOperation in experiment
80%
Stage #1: at 60℃; for 7 h;
Example 232: 3-(3-Chlorobenzo[b1thiophene-2-carboxamido)-4-cvclohexylcarbamoyl)- benzoic acidMethod 23A mixture of 2-amino-terephthalic acid (10.0 g, 55.1 mmol), 96percent sulfuric acid (10 mL) and MeOH (100 mL) was stirred at 60° for 7 h, then concentrated to half its volume, poured into ice and cautiously brought to pH 8 with about 20 g of solid sodium carbonate. The solution was washed with DCM (3 x 40 mL), then cautiously acidified to pH 2 with cone. HCI. The precipitate was collected by filtration, washed repeatedly with water and dried under vacuum at 40°C overnight. 2-Amino-terephthalic acid 4-methyl ester was obtained as a yellow solid (8.56 g, 80percent). To a suspension of this ester (2.0 g, 10.3 mmol) in DCM (65 mL), triethylamine (1.78 mL, 12.8 mmol) was added; after dissolution, 3-chloro- benzo[b]thiophene-2-carbonyl chloride (1.97 g, 8.55 mmol) was added and the mixture was stirred over 3 days at room temperature. The mixture was evaporated under vacuum and the residue was crystallized from about 50 mL of ethyl acetate, then washed with fresh ethyl acetate. 2-(3-Chloro-benzo[b]thiophene-2-carboxamido)terephthalic acid 4- methyl ester was obtained as a white solid (2.91 g, 73percent). A mixture of this compound (200 mg, 0.514 mmol), oxalyl chloride (0.052 mL, 0.617 mmol), DCM (5 mL) and 2 drops of DMF was refluxed for 1 h, then evaporated to dryness. The residue was mixed with cyclohexylamine (102 mg, 1.02 mmol) in DMF (5 mL) and the resulting solution was stirred for 1.5 h at room temperature. The solution was diluted with DCM (5 mL) and washed with diluted HCI, dried over sodium sulfate, filtered and evaporated under vacuum. The white solid residue was mixed with potassium carbonate (426 mg, 3.1 mmol), water (2 mL) and methanol (6 mL) and stirred at 90°C for 5 h. The clear solution thus formed was acidified with cone. HCI and stirring was continued for 1 h at room temperature, then the white precipitate was collected by suction filtration and washed repeatedly with water to obtain the title compound (93 mg, 40percent overall) as a white solid, mp > 200°C.1 H-NMR (300 MHz, DMSO-cfe, 300°K), δ ppm: 13.31 (br.s, 1 H), 12.09 (s, 1 H), 9.04 (d, 1 H), 8.77 (d, 1 H), 8.1 1-8.28 (m, 1 H), 7.93-8.06 (m, 1 H), 7.88 (d, 1 H), 7.78 (dd, 1 H), 7.53- 7.73 (m, 2H), 3.73-3.86 (m, 1 H), 1.50-2.05 (m, 5H), 0.91-1.49 (m, 5H); MS: m/z = 457 [MH]+
Reference: [1] Organic and Biomolecular Chemistry, 2015, vol. 13, # 12, p. 3625 - 3632
[2] Patent: WO2012/59442, 2012, A2, . Location in patent: Page/Page column 92; 106
[3] Farmaco, Edizione Scientifica, 1984, vol. 39, # 11, p. 968 - 978
[4] Monatshefte fuer Chemie, 1907, vol. 28, p. 816
[5] Monatshefte fuer Chemie, 1907, vol. 28, p. 816
[6] Organic Letters, 2017, vol. 19, # 7, p. 1578 - 1581
  • 3
  • [ 610-29-7 ]
  • [ 85743-02-8 ]
Reference: [1] Farmaco, Edizione Scientifica, 1984, vol. 39, # 11, p. 968 - 978
  • 4
  • [ 10312-55-7 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
[2] Monatshefte fuer Chemie, 1907, vol. 28, p. 816
  • 5
  • [ 5372-81-6 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1907, vol. 28, p. 816
  • 6
  • [ 60728-41-8 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
  • 7
  • [ 808123-08-2 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
  • 8
  • [ 67-56-1 ]
  • [ 99185-32-7 ]
  • [ 5372-81-6 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
[2] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
  • 9
  • [ 10312-55-7 ]
  • [ 74-88-4 ]
  • [ 85743-02-8 ]
Reference: [1] Monatshefte fuer Chemie, 1912, vol. 33, p. 196
Historical Records

Related Functional Groups of
[ 85743-02-8 ]

Carboxylic Acids

Chemical Structure| 41684-07-5

[ 41684-07-5 ]

4-Amino-3-(methoxycarbonyl)benzoic acid

Similarity: 0.98

Chemical Structure| 10312-55-7

[ 10312-55-7 ]

2-Aminoterephthalic acid

Similarity: 0.91

Chemical Structure| 15089-51-7

[ 15089-51-7 ]

2-Amino-4,5-dimethylbenzoic acid

Similarity: 0.91

Chemical Structure| 2305-36-4

[ 2305-36-4 ]

2-Amino-4-methylbenzoic acid

Similarity: 0.91

Chemical Structure| 4389-50-8

[ 4389-50-8 ]

2-Amino-6-methylbenzoic acid

Similarity: 0.89

Amines

Chemical Structure| 18595-13-6

[ 18595-13-6 ]

Methyl 2-amino-6-methylbenzoate

Similarity: 0.98

Chemical Structure| 41684-07-5

[ 41684-07-5 ]

4-Amino-3-(methoxycarbonyl)benzoic acid

Similarity: 0.98

Chemical Structure| 63746-12-3

[ 63746-12-3 ]

Dimethyl 4-aminoisophthalate

Similarity: 0.98

Chemical Structure| 49592-84-9

[ 49592-84-9 ]

Methyl 2,5-Diaminobenzoate

Similarity: 0.98

Chemical Structure| 22223-49-0

[ 22223-49-0 ]

Methyl 2-amino-3-methylbenzoate

Similarity: 0.96

Aryls

Chemical Structure| 18595-13-6

[ 18595-13-6 ]

Methyl 2-amino-6-methylbenzoate

Similarity: 0.98

Chemical Structure| 41684-07-5

[ 41684-07-5 ]

4-Amino-3-(methoxycarbonyl)benzoic acid

Similarity: 0.98

Chemical Structure| 63746-12-3

[ 63746-12-3 ]

Dimethyl 4-aminoisophthalate

Similarity: 0.98

Chemical Structure| 49592-84-9

[ 49592-84-9 ]

Methyl 2,5-Diaminobenzoate

Similarity: 0.98

Chemical Structure| 22223-49-0

[ 22223-49-0 ]

Methyl 2-amino-3-methylbenzoate

Similarity: 0.96

Esters

Chemical Structure| 18595-13-6

[ 18595-13-6 ]

Methyl 2-amino-6-methylbenzoate

Similarity: 0.98

Chemical Structure| 41684-07-5

[ 41684-07-5 ]

4-Amino-3-(methoxycarbonyl)benzoic acid

Similarity: 0.98

Chemical Structure| 63746-12-3

[ 63746-12-3 ]

Dimethyl 4-aminoisophthalate

Similarity: 0.98

Chemical Structure| 49592-84-9

[ 49592-84-9 ]

Methyl 2,5-Diaminobenzoate

Similarity: 0.98

Chemical Structure| 22223-49-0

[ 22223-49-0 ]

Methyl 2-amino-3-methylbenzoate

Similarity: 0.96