Product Name

  • Name

    Methyl 4-acetamido-5-chloro-2-methoxybenzoate

  • EINECS 223-840-1
  • CAS No. 4093-31-6
  • Article Data17
  • CAS DataBase
  • Density 1.312 g/cm3
  • Solubility 1.14g/L at 25℃
  • Melting Point 153-156 °C
  • Formula C11H12ClNO4
  • Boiling Point 440.2 °C at 760 mmHg
  • Molecular Weight 257.674
  • Flash Point 220 °C
  • Transport Information
  • Appearance white to light beige fine crystalline powder
  • Safety 24/25-36-26
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 4093-31-6 (Methyl 4-acetamido-5-chloro-2-methoxybenzoate)
  • Hazard Symbols HarmfulXn
  • Synonyms o-Anisicacid, 4-acetamido-5-chloro-, methyl ester (7CI,8CI);4-Acetamido-5-chloro-2-methoxybenzoic acid methyl ester;4-Acetylamino-5-chloro-2-methoxybenzoic acid methyl ester;Methyl2-methoxy-4-acetamido-5-chlorobenzoate;Methyl2-methoxy-4-acetylamino-5-chlorobenzoate;Methyl4-(acetylamino)-5-chloro-2-(methyloxy)benzoate;Methyl 4-acetamido-5-chloro-o-anisate;Methyl4-acetylamino-5-chloro-2-methoxybenzoate;
  • PSA 64.63000
  • LogP 2.16660

Synthetic route

methyl 4-(acetylamino)-o-anisate
4093-29-2

methyl 4-(acetylamino)-o-anisate

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
With N-chloro-succinimide In N,N-dimethyl-formamide at 40 - 65℃; for 9h; Temperature;90.3%
With palladium diacetate; copper diacetate; copper dichloride In dichloromethane at 90℃; for 48h;30%
With sodium hypochlorite for 1h; Yield given;
With N-chloro-succinimide In N,N-dimethyl-formamide
methyl 4-amino-5-chloro-2-methoxybenzoate
20896-27-9

methyl 4-amino-5-chloro-2-methoxybenzoate

acetic anhydride
108-24-7

acetic anhydride

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
With acetic acid at 50℃; for 5h;80%
methyl 4-amino-5-chloro-2-methoxybenzoate
20896-27-9

methyl 4-amino-5-chloro-2-methoxybenzoate

acetic acid
64-19-7

acetic acid

acetyl chloride
75-36-5

acetyl chloride

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
for 12h; Reflux;67%
...Expand
6-amino-5-nitro-pyridine-2-carboxylic acid methyl ester
538372-32-6

6-amino-5-nitro-pyridine-2-carboxylic acid methyl ester

A

imidazo[4,5-b]pyridine-pyrrole

imidazo[4,5-b]pyridine-pyrrole

B

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
hydrogen In palladium-carbonA n/a
B 63%
Methyl 4-amino-2-methoxybenzoate
27492-84-8

Methyl 4-amino-2-methoxybenzoate

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2O / 1.) room temp., 30 min., 2.) 60-70 deg C, 1 h
2: aq. sodium hypochlorite / 1 h
View Scheme
Multi-step reaction with 2 steps
1: N-chloro-succinimide / acetonitrile / 3 h / Reflux
2: 12 h / Reflux
View Scheme
methyl 4-amino-5-chloro-2-methoxybenzoate
20896-27-9

methyl 4-amino-5-chloro-2-methoxybenzoate

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
With acetic acid In acetic anhydride
methyl 4-acetamido-2-hydroxybenzoate
4093-28-1

methyl 4-acetamido-2-hydroxybenzoate

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / N,N-dimethyl-formamide
2: N-chloro-succinimide / N,N-dimethyl-formamide
View Scheme
4-Aminosalicylic acid
65-49-6

4-Aminosalicylic acid

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: sulfuric acid / 2 h / 20 °C
2: acetic acid / 1 h
3: sodium hydroxide / N,N-dimethyl-formamide
4: N-chloro-succinimide / N,N-dimethyl-formamide
View Scheme
methyl 4-aminosalicylate
4136-97-4

methyl 4-aminosalicylate

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: acetic acid / 1 h
2: sodium hydroxide / N,N-dimethyl-formamide
3: N-chloro-succinimide / N,N-dimethyl-formamide
View Scheme
4-amino-5-chloro-2-methoxybenzoic acid
7206-70-4

4-amino-5-chloro-2-methoxybenzoic acid

methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / 5 h / 80 °C
2: acetic acid / 5 h / 50 °C
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

methyl 4-acetylamino-5-chloro-2-hydroxybenzoate
24190-77-0

methyl 4-acetylamino-5-chloro-2-hydroxybenzoate

Conditions
ConditionsYield
Stage #1: methyl 2-methoxy 4-acetamido 5-chloro benzoate With boron trichloride In dichloromethane at 0 - 15℃; for 4h;
Stage #2: With water In dichloromethane		95%
Stage #1: methyl 2-methoxy 4-acetamido 5-chloro benzoate With aluminum (III) chloride In 1,2-dichloro-ethane for 8h; Heating / reflux;
Stage #2: With hydrogenchloride; water In dichloromethane; 1,2-dichloro-ethane at 0℃;
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

phenylboronic acid
98-80-6

phenylboronic acid

2-acetamino-4-methoxy-5-methoxycarbonyl-1,1'-biphenyl
1058140-74-1

2-acetamino-4-methoxy-5-methoxycarbonyl-1,1'-biphenyl

Conditions
ConditionsYield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In tetrahydrofuran; water at 70℃; for 3h; Suzuki-Miyaura cross-coupling;95%
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-acetylamino-5-chloro-2-methoxy-3-nitro-benzoic acid methyl ester
126463-85-2

4-acetylamino-5-chloro-2-methoxy-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
With nitric acid at -35 - -30℃; for 0.166667h;93.8%
With nitric acid at 20℃; for 0.166667h;91%
With sulfuric acid; nitric acid at 0 - 10℃; for 0.5h;85%
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

C11H11(2)HClNO4

C11H11(2)HClNO4

Conditions
ConditionsYield
With [(1,5-cyclooctadiene)Ir(1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)(PPh3)]PF6; deuterium In dichloromethane at 20℃; for 2h; Sealed tube;92%
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-(acetylamino)-5-chloro-2-methoxybenzoic acid
24201-13-6

4-(acetylamino)-5-chloro-2-methoxybenzoic acid

Conditions
ConditionsYield
88%
With sodium hydroxide In water85%
With sodium hydroxide In methanol at 60℃; for 1h;84%
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-amino-5-chloro-2-methoxybenzoic acid
7206-70-4

4-amino-5-chloro-2-methoxybenzoic acid

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water84%
With potassium hydroxide In ethanol; water Heating / reflux;
Stage #1: methyl 2-methoxy 4-acetamido 5-chloro benzoate With sodium hydroxide In ethanol
Stage #2: With hydrogenchloride In water
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

chloroacetyl chloride
79-04-9

chloroacetyl chloride

C12H11Cl2NO5

C12H11Cl2NO5

Conditions
ConditionsYield
Stage #1: chloroacetyl chloride With aluminum (III) chloride In dichloromethane at 0 - 10℃; for 0.5h;
Stage #2: methyl 2-methoxy 4-acetamido 5-chloro benzoate In dichloromethane at 0 - 10℃; for 4h;		83%
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

methyl iodide
74-88-4

methyl iodide

4-(N-acetyl-N-methylamino)-5-chloro-2-methoxybenzoic acid methyl ester
202822-76-2

4-(N-acetyl-N-methylamino)-5-chloro-2-methoxybenzoic acid methyl ester

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran for 5h; Heating;45%
With NaH In tetrahydrofuran; water; ethyl acetate4.77 g (45%)
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

ethyl iodide
75-03-6

ethyl iodide

4-(N-acetyl-N-ethyl)amino-5-chloro-2-methoxybenzoic acid
483303-91-9

4-(N-acetyl-N-ethyl)amino-5-chloro-2-methoxybenzoic acid

Conditions
ConditionsYield
Stage #1: methyl 2-methoxy 4-acetamido 5-chloro benzoate With sodium hydride In tetrahydrofuran at 0 - 20℃; for 1h;
Stage #2: ethyl iodide In tetrahydrofuran at 20℃;		10 g
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-(N-ethyl-N-methylamino)-5-chloro-2-methoxybenzenemethanol
202822-77-3

4-(N-ethyl-N-methylamino)-5-chloro-2-methoxybenzenemethanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 45 percent / NaH / tetrahydrofuran / 5 h / Heating
2: 89.5 percent / LiAlH4 / tetrahydrofuran; diethyl ether / 2 h
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

3-[5-chloro-4-[(ethylmethylamino)-2-methoxyphenyl]-methyl]-1,3,4-oxadiazol-2-(3H)-one
202822-84-2

3-[5-chloro-4-[(ethylmethylamino)-2-methoxyphenyl]-methyl]-1,3,4-oxadiazol-2-(3H)-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 45 percent / NaH / tetrahydrofuran / 5 h / Heating
2: 89.5 percent / LiAlH4 / tetrahydrofuran; diethyl ether / 2 h
3: 60 percent / PPh3; DEAD / tetrahydrofuran / 24 h / 0 °C
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

3-[5-chloro-4-[(ethylmethylamino)-2-hydroxyphenyl]-methyl]-1,3,4-oxadiazol-2-(3H)-one

3-[5-chloro-4-[(ethylmethylamino)-2-hydroxyphenyl]-methyl]-1,3,4-oxadiazol-2-(3H)-one

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 45 percent / NaH / tetrahydrofuran / 5 h / Heating
2: 89.5 percent / LiAlH4 / tetrahydrofuran; diethyl ether / 2 h
3: 60 percent / PPh3; DEAD / tetrahydrofuran / 24 h / 0 °C
4: pyridine hydrochloride / 1 h / Heating
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

3,4-diamino-2-methoxy-benzoic acid methyl ester
538372-37-1

3,4-diamino-2-methoxy-benzoic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 91 percent / HNO3 / 0.17 h / 20 °C
2: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
3: H2; Et3N / Pd/C / 6 h / 3800 Torr
View Scheme
Multi-step reaction with 3 steps
1: nitric acid / 0.33 h / 20 °C
2: sulfuric acid / methanol / Reflux
3: palladium on activated charcoal; triethylamine / methanol / 16 h / 3040.2 Torr / Inert atmosphere
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-amino-5-chloro-2-methoxy-3-nitro-benzoic acid methyl ester
457947-61-4

4-amino-5-chloro-2-methoxy-3-nitro-benzoic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 91 percent / HNO3 / 0.17 h / 20 °C
2: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: nitric acid; sulfuric acid / 1 h / 0 °C
2: sulfuric acid / methanol / 7 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1: nitric acid / 0.33 h / 20 °C
2: sulfuric acid / methanol / Reflux
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

2-(4-amino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzoimidazole-5-carboxylic acid methyl ester

2-(4-amino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzoimidazole-5-carboxylic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: 91 percent / HNO3 / 0.17 h / 20 °C
2.1: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
3.1: H2; Et3N / Pd/C / 6 h / 3800 Torr
4.1: HBTU; DIEA / dimethylformamide / 36 h
4.2: 494 mg / AcOH / 7 h / 90 °C
5.1: H2 / Pd/C / dimethylformamide / 5 h / 7600 Torr
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

4-methoxy-2-(1-methyl-4-nitro-1H-pyrrol-2-yl)-3H-benzimidazole-5-carboxylic acid methyl ester
538372-38-2

4-methoxy-2-(1-methyl-4-nitro-1H-pyrrol-2-yl)-3H-benzimidazole-5-carboxylic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: 91 percent / HNO3 / 0.17 h / 20 °C
2.1: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
3.1: H2; Et3N / Pd/C / 6 h / 3800 Torr
4.1: HBTU; DIEA / dimethylformamide / 36 h
4.2: 494 mg / AcOH / 7 h / 90 °C
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

2-(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzimidazole-5-carboxylic acid methyl ester
538372-39-3

2-(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzimidazole-5-carboxylic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: 91 percent / HNO3 / 0.17 h / 20 °C
2.1: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
3.1: H2; Et3N / Pd/C / 6 h / 3800 Torr
4.1: HBTU; DIEA / dimethylformamide / 36 h
4.2: 494 mg / AcOH / 7 h / 90 °C
5.1: H2 / Pd/C / dimethylformamide / 5 h / 7600 Torr
6.1: 248 mg / DIEA / dimethylformamide
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

2-(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzimidazole-5-carboxylic acid
538372-40-6

2-(4-tert-butoxycarbonylamino-1-methyl-1H-pyrrol-2-yl)-4-methoxy-3H-benzimidazole-5-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: 91 percent / HNO3 / 0.17 h / 20 °C
2.1: 94 percent / aq. H2SO4 / methanol / 9 h / Heating
3.1: H2; Et3N / Pd/C / 6 h / 3800 Torr
4.1: HBTU; DIEA / dimethylformamide / 36 h
4.2: 494 mg / AcOH / 7 h / 90 °C
5.1: H2 / Pd/C / dimethylformamide / 5 h / 7600 Torr
6.1: 248 mg / DIEA / dimethylformamide
7.1: 73 percent / aq. NaOH / dioxane / 20 - 50 °C
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

5-chloro-4-ethylamino-2-methoxybenzoic acid
206434-46-0

5-chloro-4-ethylamino-2-methoxybenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: NaH / tetrahydrofuran / 1 h / 0 - 20 °C
1.2: 10 g / tetrahydrofuran / 20 °C
2.1: 20 percent aq. NaOH / 15 h / Heating
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

methyl 4-acetylamino-3-amino-5-chloro-2-methoxybenzoate
126463-86-3

methyl 4-acetylamino-3-amino-5-chloro-2-methoxybenzoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 73 percent / conc. H2SO4; fuming HNO3 / 0.08 h / 10 °C
2: 96 percent / H2 / Raney-Ni / ethanol; H2O / 1 h / 20 °C / 3344 Torr
View Scheme
Multi-step reaction with 2 steps
1: 62 percent / HNO3
2: H2 / Ra-Ni
View Scheme
Multi-step reaction with 2 steps
1: 93.8 percent / HNO3 fuming / 0.17 h / -35 - -30 °C
2: H2 / 10percent Pd/C / methanol; tetrahydrofuran / 4 h / 760 Torr / Ambient temperature
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

methyl 7-chloro-4-methoxy-2-methyl-1H-benzimidazole-5-carboxylate
126463-87-4

methyl 7-chloro-4-methoxy-2-methyl-1H-benzimidazole-5-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 73 percent / conc. H2SO4; fuming HNO3 / 0.08 h / 10 °C
2: 96 percent / H2 / Raney-Ni / ethanol; H2O / 1 h / 20 °C / 3344 Torr
3: 100 percent / p-TsOH*H2O / toluene / 1 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: 93.8 percent / HNO3 fuming / 0.17 h / -35 - -30 °C
2: H2 / 10percent Pd/C / methanol; tetrahydrofuran / 4 h / 760 Torr / Ambient temperature
3: 6N aq. HCl / acetic acid / 2 h / Heating
View Scheme
Multi-step reaction with 3 steps
1: sulfuric acid; nitric acid / 0.5 h / 0 - 10 °C
2: hydrogen / nickel / ethanol; water / 5 h / 20 °C / 1551.49 Torr
3: toluene-4-sulfonic acid / toluene / 1 h / Heating / reflux
View Scheme
methyl 2-methoxy 4-acetamido 5-chloro benzoate
4093-31-6

methyl 2-methoxy 4-acetamido 5-chloro benzoate

7-chloro-4-methoxy-1H-benzotriazole-5-carboxylic acid
199931-42-5

7-chloro-4-methoxy-1H-benzotriazole-5-carboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 73 percent / conc. H2SO4; fuming HNO3 / 0.08 h / 10 °C
2: 96 percent / H2 / Raney-Ni / ethanol; H2O / 1 h / 20 °C / 3344 Torr
3: conc. H2SO4; aq. NaNO2 / 1 h / 5 °C
4: 4.7 g / H2O / 18 h / Heating
View Scheme
Multi-step reaction with 4 steps
1: 62 percent / HNO3
2: H2 / Ra-Ni
3: aq. H2SO4, NaNO2 / 0 °C
4: Heating
View Scheme

Methyl 4-acetamido-5-chloro-2-methoxybenzoate Specification

The IUPAC Name of Methyl 4-acetamido-5-chloro-o-anisate is methyl 4-acetamido-5-chloro-2-methoxybenzoate. With the CAS registry number 4093-31-6 and EINECS 223-840-1, it is also named as Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester. The product's categories are Aromatic Esters; C10 to C11; Carbonyl Compounds; Esters. It is white to light beige fine crystalline powder which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container, avoided direct sunshine and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.55; (6)ACD/BCF (pH 7.4): 29.55; (7)ACD/KOC (pH 5.5): 392.88; (8)ACD/KOC (pH 7.4): 392.88; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 63.87 cm3; (15)Molar Volume: 196.3 cm3; (16)Surface Tension: 44.9 dyne/cm; (17)Enthalpy of Vaporization: 69.73 kJ/mol; (18)Vapour Pressure: 5.99E-08 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Tautomer Count: 4; (21)Exact Mass: 257.045486; (22)MonoIsotopic Mass: 257.045486; (23)Topological Polar Surface Area: 64.6; (24)Heavy Atom Count: 17; (25)Complexity: 297.

Preparation: The Methyl p-acetaminosalicylate reacts with dimethyl sulfate to get compound 1. After etherification, we can obtain acetaminophen- o-methoxy methyl formate. Using chlorine to chloridize the latter product, we get Methyl 4-acetamido-5-chloro-o-anisate.

Uses of Methyl 4-acetamido-5-chloro-o-anisate: It is the intermediate of metoclopramide. It also can be used to produce 4-acetylamino-5-chloro-2-methoxy-3-nitro-benzoic acid methyl ester. This reaction needs reagents conc. H2SO4 and fuming HNO3 at temperature of 10 °C. The reaction time is 5 min. The yield is 73%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1cc(c(OC)cc1NC(=O)C)C(=O)OC
2. InChI:InChI=1/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
3. InChIKey:OUEXNQRVYGYGIK-UHFFFAOYAB

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