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2635-84-9

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Basic Information
CAS No.: 2635-84-9
Name: P-NITROPHENYL BUTYRATE
Article Data: 23
Molecular Structure:
Molecular Structure of 2635-84-9 (P-NITROPHENYL BUTYRATE)
Formula: C10H11NO4
Molecular Weight: 209.202
Synonyms: 4-Nitrophenyl butanoate;Butanoic acid p-nitrophenyl ester;(4-Nitrophenyl) butanoate;4-Nitrophenyl butyrate;Butanoic acid,4-nitrophenyl ester (9CI);Butyric acid,p-nitrophenyl ester;Butyric acid, p-nitrophenyl ester (8CI);p-Nitrophenol butyrate;p-Nitrophenyl butyrate;
EINECS: 258-258-3
Density: 1.216 g/cm3
Boiling Point: 323.2 °C at 760 mmHg
Flash Point: 144.8 °C
Solubility: Chloroform: 0.1 g/mL, clear, faintly yellow
Appearance: Clear light brown liquid
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 36/37
PSA: 72.12000
LogP: 2.82350
Related products
Synthetic route
100-02-7

4-nitro-phenol

141-75-3

butyryl chloride

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
With pyridine In dichloromethane at 0℃; for 3h;99%
With iodine; magnesium; benzene
With magnesium; benzene
100-02-7

4-nitro-phenol

107-92-6

butyric acid

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In ethyl acetate at 20℃; Inert atmosphere;90%
With dmap; dicyclohexyl-carbodiimide In dimethyl sulfoxide at 20℃; for 8h;81.5%
Stage #1: butyric acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 0.5h;
Stage #2: 4-nitro-phenol In dichloromethane at 0℃; for 6h;		70%
14617-88-0

(E)-4-nitrophenyl but-2-enoate

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine In toluene at 110℃; for 1h;59%
With tri-n-butyl-tin hydride; magnesium bromide In dichloromethane at 0℃; for 27h;40%
With tri-n-butyl-tin hydride; magnesium bromide In dichloromethane at 0℃; for 27h;40%
106-31-0

butanoic acid anhydride

100-02-7

4-nitro-phenol

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
In 1,4-dioxane; pyridine for 2h; Ambient temperature;52%
100-02-7

4-nitro-phenol

71-36-3

butan-1-ol

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
With [RhCl2(p-cymene)]2; oxygen; caesium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 24h;50%

Butyric acid 4-nitro-phenyl ester; compound with 1-methyl-1H-imidazole

A

616-47-7

1-methyl-1H-imidazole

B

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
With 2-(cyclohexylamino)ethanesulfonic acid In acetonitrile at 27℃; Equilibrium constant;
100-02-7

4-nitro-phenol

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
Multi-step reaction with 29 steps
1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
2: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
4: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
8: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
10: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
12: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
13: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
14: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
15: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
16: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
17: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
18: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
19: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
20: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
21: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
22: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
23: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
24: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
25: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
26: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
27: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
28: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
29: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 11 steps
1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
2: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
4: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
8: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
10: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 11 steps
1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
2: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
4: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
8: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
10: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
4195-18-0

4-nitrophenyl 4-methylpentanoate

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
Multi-step reaction with 22 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
19: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
21: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 18 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 20 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
1956-09-8

4-nitrophenyl decanoate

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
Multi-step reaction with 26 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
23: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
24: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
25: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
26: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 22 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 24 steps
1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
23: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
24: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
13551-17-2

4-nitrophenyl ester cyclohexanecarboxylic acid

2635-84-9

p-nitrophenyl butyrate

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 10 steps
1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
Multi-step reaction with 10 steps
1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
5: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction
10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C
View Scheme
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  • 4-Nitrophenyl butyrate

  • Casno:

    2635-84-9

    4-Nitrophenyl butyrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    P-NITROPHENYL BUTYRATE

    In 1846 the entrepreneur Mansuke Nakarai founded his apothecary business for Japanese and Chinese medicines. In 1906 the company started business activities for Western pharmaceuti

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Specification

The Butanoic acid,4-nitrophenyl ester, with the CAS registry number of 2635-84-9, is also known as Butanoic acid p-nitrophenyl ester. The molecular formula of this chemical is C10H11NO4 and its molecular weight is 209.2. What's more, its IUPAC name is (4-Nitrophenyl) butanoate. In addition, it must be stored at 2-8 °C and placed in a dry, cool place.

Physical properties about Butanoic acid,4-nitrophenyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.29; (6)ACD/BCF (pH 7.4): 51.29; (7)ACD/KOC (pH 5.5): 583; (8)ACD/KOC (pH 7.4): 583; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 53.4 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 56.51 kJ/mol; (21)Boiling Point: 323.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000266 mmHg at 25 °C.

Preparation of Butanoic acid,4-nitrophenyl ester: this chemical is prepared by reaction of Butyric acid anhydride with 4-Nitro-phenol at ambient temperature. This reaction needs reagents Dioxane and Pyridine. The reaction time is 2 hours. The yield is about 52 %.

The Butanoic acid,4-nitrophenyl ester can be obtained by Butyric acid anhydride and 4-Nitro-phenol.

Uses of Butanoic acid,4-nitrophenyl ester: it is used to produce other chemicals. For example, it is used to produce p-Aminophenylbutyrat. This reaction needs reagent Hydrogen, catalyst Platinum oxide and solvent Ethanol. The yield is about 93 %.

Butanoic acid,4-nitrophenyl ester can be used to produce p-Aminophenylbutyrat.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause sensitisation by skin contact. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)CCC
(2) InChI: InChI=1/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
(3) InChIKey: DVDUMIQZEUTAGK-UHFFFAOYAM