2,5-Dichlorobenzoic acid supplier

Name
2,5-Dichlorobenzoic acid
EINECS 200-065-7
CAS No. 50-79-3
Article Data40
CAS DataBase
Density 1.518 g/cm³
Solubility <0.1 g/100 mL at 19 °C in water
Melting Point 151-154 °C(lit.)
Formula C₇H₄Cl₂O₂
Boiling Point 301 °C at 760 mmHg
Molecular Weight 191.014
Flash Point 135.8 °C
Transport Information
Appearance white crystalline powder
Safety 26-36-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,5-Dichlorobenzoate;2, 5-Dichlorobenzoic acid;Benzoic acid, 2,5-dichloro-;
PSA 37.30000
LogP 2.69160

Synthetic route

: 3032-32-4
3,6-dichloroanthranilic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With cobalt(II) naphthenate; Diisobutyl adipate at 78℃; for 2h; Temperature;	97%

: 2476-37-1
2,5-dichloroacetophenone

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water; bromine; sodium hydroxide at 0 - 20℃; for 2h;	78.9%

: 80959-18-8
2,4-dichlorobenzaldoxime

A: 874-42-0
2,4-dichlorobenzaldeyhde

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With calcium hypochlorite; montmorillonite K-10 In chloroform at 20℃; for 3.3h;	A 68% B 2.3%

: 201230-82-2
carbon monoxide

: 29682-41-5
2,5-dichloroiodobenzene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water; palladium diacetate; triethylamine; triphenylphosphine In 1,4-dioxane at 110℃; under 11251.1 Torr; for 2h; Flow reactor;	48%

: 95-94-3
1,2,4,5-tetrachlorobenzene

: 124-38-9
carbon dioxide

A: 50-82-8
2,4,5-trichlorobenzoic acid

B: 108-90-7
chlorobenzene

C: 71-43-2
benzene

D: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at -5 - 0℃; Dehalogenation; Carboxylation; Electrochemical reaction; Further byproducts given;	A 14% B 4% C 2% D 6%

...Expand

: 65-85-0
benzoic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; potassium chlorate
With chloroperoxidase; dihydrogen peroxide In water pH=3.5; Chlorination;	0.2%

: 95-82-9
2,5 dichloroaniline

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
ueber das Nitril durch Behandeln mit alkoh. Kalilauge;
Multi-step reaction with 2 steps 1: concentrated sulfuric acid / Diazotization.Behandlung der Loesung des Diazoniumsulfats mit Kaliumkupfercyanuer 2: fuming hydrochloric acid / 180 °C View Scheme

: 6361-23-5
2,5-dichloro-benzaldehyde

A: 34145-05-6
2,5-dichlorobenzyl alcohol

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide
With sodium amalgam

: 19398-61-9
2,5-dichlorotoluene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate
With nitric acid at 140℃; im Druckrohr;

: 21663-61-6
2,5-dichlorobenzonitrile

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride at 180℃;
With potassium hydroxide In ethylene glycol at 170℃; for 7h;

: 89-54-3
2-chloro-5-aminobenzoic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride Diazotization;

: 54484-63-8
2,5-dichloroethylbenzene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With dichromate mixture

: 98-88-4
benzoyl chloride

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With chlorine; iron(III) chloride at 35℃; nachfolgend Verseifen;

: 65-85-0
benzoic acid

A: 51-44-5
3,4-dichlorbenzoic acid

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With chlorine; iron(III) chloride

: 118-91-2
ortho-chlorobenzoic acid

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride; potassium dichromate at 180℃; im Druckrohr;
With chlorosulphuric acid; sulfur at 35 - 40℃; Einleiten von Chlor;

: 124-38-9
carbon dioxide

: 120-82-1
1,2,4-Trichlorobenzene

A: 50-84-0
2,4 dichlorobenzoic acid

B: 51-44-5
3,4-dichlorbenzoic acid

C: 95-50-1
1,2-dichloro-benzene

D: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A); Yield given. Further byproducts given. Yields of byproduct given;

...Expand

: 7647-01-0
hydrogenchloride

: 91532-29-5
6-nitrobenzo[d][1,2,3]triazin-4(3H)-one

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
at 150 - 160℃;

: 7647-01-0
hydrogenchloride

: 635-21-2
5-chloroanthranilic acid

sodium nitrite: sodium nitrite

A: 321-14-2
5-chloro-2-hydroxybenzoic acid

B: 54389-65-0
4,4'-dichlorobiphenyl-2,2'-dicarboxylic acid

C: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Erhitzen der Reaktionsloesung mit ammoniakal. wss. Kupfer(I)-sulfit-Loesung;

...Expand

: 7782-50-5
chlorine

: 65-85-0
benzoic acid

ferric chloride: ferric chloride

A: 51-44-5
3,4-dichlorbenzoic acid

B: 535-80-8
3-chlorobenzoate

C: 50-79-3
2,5-dichlorobenzoic acid

...Expand

: 7647-01-0
hydrogenchloride

: 65-85-0
benzoic acid

potassium chlorate: potassium chlorate

A: 51-44-5
3,4-dichlorbenzoic acid

B: 535-80-8
3-chlorobenzoate

C: 118-91-2
ortho-chlorobenzoic acid

D: 50-79-3
2,5-dichlorobenzoic acid

...Expand

1-<2.5-dichloro-phenyl>-ethanone-(1): 1-<2.5-dichloro-phenyl>-ethanone-(1)

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With alkaline aqueous potassium permanganate
With sodium hypochlorite

2.5-dichloro-trichloromethyl-benzene: 2.5-dichloro-trichloromethyl-benzene

: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
With water

diazotized 5-chloro-2-amino-benzoic acid: diazotized 5-chloro-2-amino-benzoic acid

: 50-79-3
2,5-dichlorobenzoic acid

: 10541-71-6
1,4-dichloro-2-trichloromethyl-benzene

: 7732-18-5
water

: 50-79-3
2,5-dichlorobenzoic acid

: 19398-61-9
2,5-dichlorotoluene

: 7697-37-2
nitric acid

: 50-79-3
2,5-dichlorobenzoic acid

: 6361-23-5
2,5-dichloro-benzaldehyde

KMnO4: KMnO4

: 50-79-3
2,5-dichlorobenzoic acid

: 6361-23-5
2,5-dichloro-benzaldehyde

: 64-17-5
ethanol

KOH: KOH

: 50-79-3
2,5-dichlorobenzoic acid

...Expand

: 56-23-5
tetrachloromethane

: 7446-70-0
aluminium trichloride

: 106-46-7
para-dichlorobenzene

A: 25187-09-1
2,5,2',5'-tetrachloro-benzophenone

B: 50-79-3
2,5-dichlorobenzoic acid

Conditions

Conditions	Yield
Zersetzung des Produkts mit Schwefelsaeure;

...Expand

: 34883-39-1
2,5-dichlorobiphenyl

: 64-19-7
acetic acid

chromium trioxide: chromium trioxide

: 50-79-3
2,5-dichlorobenzoic acid

...Expand

: 1008-89-5
2-phenylpyridine

: 50-79-3
2,5-dichlorobenzoic acid

: 1453098-85-5
(2,5-dichlorophenyl)(2-(pyridin-2-yl)phenyl)methanone

Conditions

Conditions	Yield
With palladium diacetate; trifluoroacetic anhydride at 100℃; for 16h; Schlenk technique; Sealed tube;	98%

: 16066-93-6
1-(5-amino-1H-indol-1-yl)ethan-1-one

: 50-79-3
2,5-dichlorobenzoic acid

: N-(1-acetyl-1H-indol-5-yl)-2,5-dichlorobenzamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic 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 dichloromethane for 0.166667h; Stage #2: 1-(5-amino-1H-indol-1-yl)ethan-1-one In dichloromethane at 20℃; for 8h;	98%

: 4-amino-3-(4-methylthiobenzyl)-5-mercapto-1,2,4-triazole

: 50-79-3
2,5-dichlorobenzoic acid

: 1144110-81-5
C17H12Cl2N4S2

Conditions

Conditions	Yield
With trichlorophosphate for 8h; Heating;	97%

: 56-40-6
glycine

: 50-79-3
2,5-dichlorobenzoic acid

: 133433-34-8
5-chloro-2-<(carboxymethyl)amino>-benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; Ullmann condensation; ultrasonic irradiation;	96%
With copper; potassium carbonate In N,N-dimethyl-formamide for 3h; Heating;	87%

: 136-95-8
2-amino-benzthiazole

: 50-79-3
2,5-dichlorobenzoic acid

: 37752-70-8
2-chloro-12H-benzothiazolo<2,3-b>quinazolin-12-one

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; sonication;	95%
With copper Ullmann condensation; Sonication;

: 64-04-0
phenethylamine

: 50-79-3
2,5-dichlorobenzoic acid

: 1002965-80-1
5-chloro-N-phenethylanthranilic acid

Conditions

Conditions	Yield
With copper(I) oxide; copper; potassium carbonate In various solvent(s) at 130℃; for 24h;	94%

: 67-56-1
methanol

: 50-79-3
2,5-dichlorobenzoic acid

: 2905-69-3
methyl 2,5-dichlorobenzoate

Conditions

Conditions	Yield
at 65 - 70℃; for 8h; Temperature; Acidic conditions;	93.6%
Acidic conditions;	73%

: 50-79-3
2,5-dichlorobenzoic acid

: 2905-61-5
2,5-dichlorobenzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride for 3h; Reflux; Inert atmosphere;	93%
With thionyl chloride; N,N-dimethyl-formamide at 50℃; for 24h;	88%
With thionyl chloride

: 50-79-3
2,5-dichlorobenzoic acid

: 321-14-2
5-chloro-2-hydroxybenzoic acid

Conditions

Conditions	Yield
With pyridine; water; potassium carbonate; copper for 0.25h; sonication;	92%
With pyridine; copper; potassium carbonate In water for 2h; Heating;	84%
With sodium methylate at 150℃; Eintragen des Reaktionsgemisches in Wasser;
With copper(l) iodide; copper; potassium carbonate at 170℃; under 4413.05 Torr;

: 123-75-1
pyrrolidine

: 50-79-3
2,5-dichlorobenzoic acid

: 77265-94-2
5-chloro-2-(1-pyrrolidinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	91%

: 6-piperazin-1-yl-pyridazine-3-carboxylic acid (3-methylbutyl)amide

: 50-79-3
2,5-dichlorobenzoic acid

: 6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carboxylic acid (3-methylbutyl)amide

Conditions

Conditions	Yield
Stage #1: 6-piperazin-1-yl-pyridazine-3-carboxylic acid (3-methylbutyl)amide; 2,5-dichlorobenzoic acid With benzotriazol-1-ol; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	89%

: 5680-79-5
glycine ethyl ester hydrochloride

: 50-79-3
2,5-dichlorobenzoic acid

: (S)-N-(2,5-dichlorobenzoyl)glycine methyl ester

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at -5℃; for 0.666667h; Stage #2: glycine ethyl ester hydrochloride With N-ethyl-N,N-diisopropylamine for 0.666667h;	89%
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.5h; Stage #3: glycine ethyl ester hydrochloride Further stages;	88.9%
Stage #1: 2,5-dichlorobenzoic acid With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran at 0℃; for 0.666667h; Stage #2: glycine ethyl ester hydrochloride With 4-methyl-morpholine In tetrahydrofuran at 0 - 20℃; for 3h;	87%

: 21909-45-5
1-benzyl-2,3-dihydro-1H-indol-5-ylamine

: 50-79-3
2,5-dichlorobenzoic acid

: N-(1-benzylindolin-5-yl)-2,5-dichlorobenzamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic 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 dichloromethane for 0.166667h; Stage #2: 1-benzyl-2,3-dihydro-1H-indol-5-ylamine In dichloromethane at 20℃; for 8h;	89%

: tert-butyl (2R)-2-[[(2S)-2-amino-2-[[(1R)-2-phenyl-1-[(1S,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^[2,6]]decan-4-yl]ethyl]carbamoyl]ethoxy]methyl]pyrrolidine-1-carboxylate

: 50-79-3
2,5-dichlorobenzoic acid

: tert-butyl (2R)-2-[[(2S)-2-[(2,5-dichlorophenyl)formamido]-2-[[(1R)-2-phenyl-1-[(1S,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0^[2,6]]decan-4-yl]ethyl]carbamoyl]ethoxy]methyl]pyrrolidine-1-carboxylate

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℃;	89%

: 67-64-1
acetone

: 50-79-3
2,5-dichlorobenzoic acid

: 2-oxopropyl 2,5-dichlorobenzoate

Conditions

Conditions	Yield
With sodium chlorite; potassium iodide at 100℃; for 24h; Schlenk technique;	89%

: amino-acetic acid methyl ester hydrochloride salt

: 50-79-3
2,5-dichlorobenzoic acid

: (S)-N-(2,5-dichlorobenzoyl)glycine methyl ester

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: With 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride In dichloromethane for 0.5h; Stage #3: amino-acetic acid methyl ester hydrochloride salt In dichloromethane at 20℃;	88.9%

: 35677-83-9, 41994-45-0, 43041-11-8, 90710-04-6
methyl (S)-pipecolinate

: 50-79-3
2,5-dichlorobenzoic acid

: 1445984-86-0
(S)-methyl 1-(2,5-dichlorobenzoyl)piperidine-2-carboxylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;	88%

: [Ru2II,III(CH3CO2)4(THF)2]BF4

: 50-79-3
2,5-dichlorobenzoic acid

: [Ru2II,II(2,5-Cl2PhCO2)4(THF)2]

Conditions

Conditions	Yield
In N,N-dimethyl-aniline for 12h; Schlenk technique; Glovebox; Reflux;	88%

: 110-89-4
piperidine

: 50-79-3
2,5-dichlorobenzoic acid

: 77265-96-4
5-chloro-2-(1-piperidinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	86%

: 19099-54-8
2-isopropyliodobenzene

: 121-46-0
bicyclo[2.2.1]hepta-2,5-diene

: 50-79-3
2,5-dichlorobenzoic acid

: 7-chloro-1-isopropylphenanthrene

Conditions

Conditions	Yield
With P(p-CH3OC6H4)3; palladium diacetate; caesium carbonate In 1,4-dioxane at 130℃; for 18h; Schlenk technique; Sealed tube; Inert atmosphere;	86%

...Expand

: 124-40-3
dimethyl amine

: 50-79-3
2,5-dichlorobenzoic acid

: 2,5-dichloro-N,N-dimethylbenzamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 23℃; for 2h; Stage #2: dimethyl amine In dichloromethane; water; N,N-dimethyl-formamide at 0 - 23℃; for 2h;	85%

: 114-33-0
N-Methylnicotinamide

: 6046-93-1
copper(II) acetate monohydrate

: 50-79-3
2,5-dichlorobenzoic acid

: C28H26Cl4CuN4O8*2H2O

Conditions

Conditions	Yield
In acetonitrile for 24h;	85%

...Expand

: 174152-11-5
(S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid methyl ester

: 50-79-3
2,5-dichlorobenzoic acid

: (S)-N-(2,5-dichlorobenzoyl)-3-(4-trifluoromethylphenyl)alanine methyl ester

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.5h; Stage #3: (S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid methyl ester Further stages;	84.3%
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: (S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid methyl ester With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃; for 16h;
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 0.5h; Stage #3: (S)-2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid methyl ester Further stages;

: 1401197-80-5
5-(2,6-difluorophenyl)-3-phenyl-4,5-dihydropyrazole-1-carbothioamide

: 50-79-3
2,5-dichlorobenzoic acid

: 1-(4-(2,5-dichlorophenyl)-4H-1,3-thiazet-2-yl)-5-(2,6-difluorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole

Conditions

Conditions	Yield
With trichlorophosphate for 5h; Reflux;	84.1%

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 50-79-3
2,5-dichlorobenzoic acid

: 941072-69-1
4-(2,5-dichloro-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 10 - 20℃;	84%

: 110-91-8
morpholine

: 50-79-3
2,5-dichlorobenzoic acid

: 5-chloro-2-(4-morpholinyl)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	83%
With copper; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 5h; Reflux;	2.3 g

: C17H28N4O4S*C2HF3O2

: 50-79-3
2,5-dichlorobenzoic acid

: C24H30Cl2N4O5S

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With 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 0℃; Inert atmosphere; Cooling with ice; Stage #2: C17H28N4O4S*C2HF3O2 With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0℃; Inert atmosphere; Cooling with ice;	82%

: 109-89-7
diethylamine

: 50-79-3
2,5-dichlorobenzoic acid

: 77265-80-6
5-chloro-2-(diethylamino)benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.333333h; Ullmann condensation; ultrasonic irradiation;	81%

: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride

: 50-79-3
2,5-dichlorobenzoic acid

: 2,5-dichloro-N-((S)-3-methoxy-1-(((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)amino)-1-oxopropan-2-yl)benzamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h; Stage #2: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;	80.8%

Yield

Stage #1: 2,5-dichlorobenzoic acid With benzotriazol-1-ol In dichloromethane at -10℃; for 0.166667h;
Stage #2: (S)-2-amino-3-methoxy-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)propenamide hydrochloride With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at -10 - 20℃;

80.8%

2,5-Dichlorobenzoic acid Chemical Properties

IUPAC Name: 2,5-Dichlorobenzoic acid
Synonyms of 2,5-Dichlorobenzoic acid (CAS NO.50-79-3): Benzoic acid, 2,5-dichloro-
CAS NO: 50-79-3
Molecular Formula: C₇H₄Cl₂O₂
Molecular Weight: 191.01
Molecular Structure:
EINECS: 200-065-7
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 37.3 Å²
Index of Refraction: 1.599
Molar Refractivity: 42.973 cm³
Molar Volume: 125.864 cm³
Surface Tension: 53.966 dyne/cm
Density: 1.518 g/cm³
Flash Point: 135.84 °C
Enthalpy of Vaporization: 57.14 kJ/mol
Boiling Point: 300.999 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 152-157°C
Water solubility: <0.1 g/100 mL at 19°C
Stability: Stable.
Appearance: white crystalline powder
SMILES: O=C(O)c1cc(Cl)ccc1Cl
InChI: InChI=1/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey: QVTQYSFCFOGITD-UHFFFAOYAT
Std. InChI: InChI=1S/C7H4Cl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
Std. InChIKey: QVTQYSFCFOGITD-UHFFFAOYSA-N
Product Categories of 2,5-Dichlorobenzoic acid (CAS NO.50-79-3): Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Phenylacetic acid;Organic acids;Acids & Esters;Chlorine Compounds;DAlphabetic;Alpha sort;D;DIA - DIC;Pesticides&Metabolites;C7;Carbonyl Compounds;Carboxylic Acids

2,5-Dichlorobenzoic acid Uses

2,5-Dichlorobenzoic acid (CAS NO.50-79-3) is used as an organic synthesis intermediate for synthetizing herbicide chloramben and dinoben.

2,5-Dichlorobenzoic acid Production

1. First, dichlorobenzene reacts with phosgene, 2,5-DICHLOROBENZOIC ACID (50-79-3) is formed from the obtained 2,5-dichloro-benzoyl chloride by hydration.
2. Paradichlorobenzol reacts with paraformaldehyde, than oxidation by potassium permanganate to form 2,5-DICHLOROBENZOIC ACID (50-79-3).
3. Use 1,2,4-trichlorobenzene as raw material to form 2,5-dichlorobenzonitrile, then 2,5-DICHLOROBENZOIC ACID (50-79-3) is synthesized from 2,5-dichlorobenzonitrile by alkaline hydrolysis.
4. 2,5-DICHLOROBENZOIC ACID (50-79-3) is synthesized from benzoyl chloride by chlorination and hydration.
5. Use paradichlorobenzene carbon tetrachloride as raw material.

2,5-Dichlorobenzoic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	237mg/kg (237mg/kg)	BEHAVIORAL: REGIDITY BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse	LD50	subcutaneous	1200mg/kg (1200mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

2,5-Dichlorobenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

2,5-Dichlorobenzoic acid Safety Profile

Safety Information about 2,5-Dichlorobenzoic acid (CAS NO.50-79-3):
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S24/25: Avoid contact with skin and eyes.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: DG6825000
HS Code: 29163900

2,5-Dichlorobenzoic acid Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.

Product Name

2,5-Dichlorobenzoic acid

Synthetic route

2,5-Dichlorobenzoic acid Chemical Properties

2,5-Dichlorobenzoic acid Uses

2,5-Dichlorobenzoic acid Production

2,5-Dichlorobenzoic acid Toxicity Data With Reference

2,5-Dichlorobenzoic acid Consensus Reports

2,5-Dichlorobenzoic acid Safety Profile

2,5-Dichlorobenzoic acid Specification

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