2-Chloro-3-methoxybenzoic acid supplier

Name
2-CHLORO-3-METHOXYBENZOIC ACID 97
EINECS
CAS No. 33234-36-5
Article Data10
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point 161-165 °C
Formula C₈H₇ClO₃
Boiling Point 315 °C at 760 mmHg
Molecular Weight 186.595
Flash Point 144.3 °C
Transport Information UN 2811 6.1/PG 3
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms m-Anisicacid, 2-chloro- (8CI);2-Chloro-3-(methyloxy)benzoic acid;
PSA 46.53000
LogP 2.04680

Synthetic route

: 124-38-9
carbon dioxide

: 1984-59-4
2,3-dichloroanisole

A: 2845-89-8
1-chloro-3-methoxy-benzene

B: 766-51-8
2-Chloroanisole

C: 3260-89-7
2-chloro-6-methoxybenzoic acid

D: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yields of byproduct given;	A n/a B n/a C n/a D 78%
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yields of byproduct given;	A n/a B n/a C 78% D n/a

...Expand

: 586-38-9
3-Methoxybenzoic acid

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Stage #1: 3-Methoxybenzoic acid With 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at 0℃; for 2h; Stage #2: With hexachloroethane In tetrahydrofuran at 0 - 65℃; for 2.5h; Stage #3: With hydrogenchloride at 20℃;	47%
With hexachloroethane; 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at 0 - 65℃; for 2.5h;	47%

: 90807-19-5
2-chloro-1-methoxy-3-methylbenzene

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 54881-49-1
2-chloro-3-methoxy benzaldehyde

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With potassium permanganate; water
With permanganate(VII) ion

: 54881-49-1
2-chloro-3-methoxy benzaldehyde

A: 52516-43-5
2-chloro-3-methoxybenzyl alcohol

B: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide at 60 - 70℃;

: 3177-80-8
2-amino-3-methoxybenzoic acid

A: 77982-83-3, 85314-52-9, 103420-84-4
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid

B: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; ammonium hydroxide; sodium hydroxide; hydroxylamine hydrochloride; copper(II) sulfate; sodium nitrite Yield given. Multistep reaction. Yields of byproduct given;

: 3177-80-8
2-amino-3-methoxybenzoic acid

A: 77982-83-3, 85314-52-9, 103420-84-4
6,6'-dimethoxy-1,1'-biphenyl-2,2'-dicarboxylic acid

B: 20557-42-0
3-methoxydithiosalicylic acid

C: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; ammonium hydroxide; sodium disulfite; iron(III) chloride; copper(II) sulfate; sodium nitrite Multistep reaction. Title compound not separated from byproducts;

...Expand

: 59425-26-2
2-Chloro-3-methoxybenzoic acid methyl ester

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 54881-49-1
2-chloro-3-methoxy benzaldehyde

natrium carbonate containing permanganate: natrium carbonate containing permanganate

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 5345-42-6
1-methoxy-3-methyl-2-nitro-benzene

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: permanganate; alkali View Scheme
Multi-step reaction with 3 steps 1: tin (II)-chloride; hydrochloric acid 3: permanganate; alkali View Scheme

: 50868-73-0
2-methoxy-6-methylbenzeneamine

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: permanganate; alkali View Scheme

: 5121-34-6
methyl 2-amino-3-methoxybenzoate

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) aq. HCl, NaNO2, (ii) CuCl, aq. HCl 2: aq. NaOH View Scheme

: 5368-81-0
methyl 3-methoxybenzoate

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: (nitration) 2: H2 / Pd-C 3: (i) aq. HCl, NaNO2, (ii) CuCl, aq. HCl 4: aq. NaOH View Scheme

: 5307-17-5
methyl 3-methoxy-2-nitrobenzoate

: 33234-36-5
2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: H2 / Pd-C 2: (i) aq. HCl, NaNO2, (ii) CuCl, aq. HCl 3: aq. NaOH View Scheme

: 96-50-4
2-thiazolylamine

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 9-methoxy-5H-[1,3]-thiazolo[2,3-b]quinazolin-5-one

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; sonication;	94%
With copper Ullmann condensation; Sonication;

: 22445-41-6
3,5-dimethylphenyl iodide

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 1421706-52-6
3-chloro-4-methoxy-3',5'-dimethyl-[1,1'-biphenyl]-2-carboxylic acid

Conditions

Conditions	Yield
With silver (II) carbonate; palladium diacetate; potassium carbonate; acetic acid at 120℃; for 24h; Inert atmosphere;	87%

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 6-bromo-2-chloro-3-methoxybenzoic acid

Conditions

Conditions	Yield
With bromine In water at 60℃;	83%

: (9aS)-3-(3-bromo-4-fluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: [(3R,9aS)-3-(3-bromo-4-fluorophenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-chloro-3-methoxyphenyl)methanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.5h; Inert atmosphere;	78%

: 64-17-5
ethanol

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 1261743-55-8
ethyl 2-chloro-3-methoxybenzoate

Conditions

Conditions	Yield
With sulfuric acid Reflux;	65%

: 22445-41-6
3,5-dimethylphenyl iodide

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 1344681-45-3
3-chloro-4-methoxy-3',5'-dimethyl-1,1'-biphenyl

Conditions

Conditions	Yield
Stage #1: 3,5-dimethylphenyl iodide; 2-chloro-3-methoxybenzoic acid With palladium diacetate; acetic acid; silver carbonate at 150℃; for 16h; Stage #2: With silver carbonate In dimethyl sulfoxide at 170℃; for 4h; regioselective reaction;	64%

: 53220-41-0
4-(4-chlorobenzoyl)piperidine

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: (1-(2-chloro-3-methoxybenzoyl)piperidin-4-yl)(4-chlorophenyl)methanone

Conditions

Conditions	Yield
Stage #1: 2-chloro-3-methoxybenzoic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 4-(4-chlorobenzoyl)piperidine In N,N-dimethyl-formamide at 20℃;	59%

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 1307770-71-3
((3S,4R)-4-(benzyloxy)-3,4-dihydroisoquinolin-3-yl)methanol

: 33234-36-5
2-chloro-3-methoxybenzoic acid

A: C30H33ClN2O5

B: C30H33ClN2O5

Conditions

Conditions	Yield
In methanol at 20℃; for 0.25h; Ugi Condensation; diastereoselective reaction;	A 51% B n/a

...Expand

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 84390-70-5
methyl 1,2,3,4-tetrahydro-5,8-dimethoxy-6-naphthylacetate

: 84390-74-9
methyl 7-(2-chloro-3-methoxybenzoyl)-1,2,3,4-tetrahydro-5,8-dimethoxy-6-naphthylacetate

Conditions

Conditions	Yield
With trifluoroacetic anhydride at 60℃; for 144h;	49%

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 84390-87-4
(1,4-Dimethoxy-6-methoxymethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-acetic acid methyl ester

: 84390-88-5
methyl 7-(2-chloro-3-methoxybenzoyl)-1,2,3,4-tetrahydro-5,8-dimethoxy-2-methoxymethyl-6-naphthylacetate

Conditions

Conditions	Yield
With trifluoroacetic anhydride at 60℃; for 144h;	47%

: 90-04-0
2-methoxy-phenylamine

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 88377-30-4
N-(2-methoxyphenyl)-3-methoxyanthranilic acid

Conditions

Conditions	Yield
With i-Amyl alcohol; copper; potassium carbonate

: 52516-43-5
2-chloro-3-methoxybenzyl alcohol

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 54881-49-1
2-chloro-3-methoxy benzaldehyde

Conditions

Conditions	Yield
With potassium hydroxide at 60 - 70℃;

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 62-53-3
aniline

: 59425-27-3
2-anilino-3-methoxy-benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate
With copper diacetate In N,N-dimethyl-formamide at 90℃;

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 156-43-4
4-Ethoxyaniline

: 860530-56-9
3-methoxy-2-p-phenetidino-benzoic acid

Conditions

Conditions	Yield
With pentan-1-ol; copper; potassium carbonate

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 51786-10-8
2-Chloro-3-hydroxy benzoic acid

Conditions

Conditions	Yield
With hydrogen bromide

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 357622-01-6
4,5-dimethoxyacridine

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium carbonate; copper; isoamyl alcohol 2: phosphoryl chloride / 160 - 165 °C 3: sodium-amalgam; sodium hydrogencarbonate / 80 °C 4: concentrated sulfuric acid; acetic acid; sodium nitrite / Reagens 4:Wasser View Scheme

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 4,5-dimethoxy-9,10-dihydroacridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate; copper; isoamyl alcohol 2: phosphoryl chloride / 160 - 165 °C 3: sodium-amalgam; sodium hydrogencarbonate / 80 °C View Scheme

: 33234-36-5
2-chloro-3-methoxybenzoic acid

: 88377-28-0
4,5-dimethoxyacridine-9(10H)-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate; copper; isoamyl alcohol 2: phosphoryl chloride / 160 - 165 °C View Scheme

2-Chloro-3-methoxybenzoic acid Specification

The Benzoic acid,2-chloro-3-methoxy- is the organic compound with the formula C₈H₇ClO₃. With the CAS registry number 33234-36-5, its systematic name is 2-chloro-3-methoxybenzoic acid.

Physical properties of Benzoic acid,2-chloro-3-methoxy-: (1)ACD/LogP: 2.11; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.562; (10)Molar Refractivity: 44.75 cm³; (11)Molar Volume: 137.9 cm³; (12)Surface Tension: 47.4 dyne/cm; (13)Density: 1.352 g/cm³; (14)Flash Point: 144.3 °C; (15)Enthalpy of Vaporization: 58.72 kJ/mol; (16)Boiling Point: 315 °C at 760 mmHg; (17)Vapour Pressure: 0.00019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(C(O)=O)c1Cl
(2)InChI: InChI=1/C8H7ClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: VIUDWLLKFANPLX-UHFFFAOYAU

Product Name

2-CHLORO-3-METHOXYBENZOIC ACID 97

Synthetic route

2-Chloro-3-methoxybenzoic acid Specification

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