CAS No.15307-86-5,1-(2,6-Dichlorophenyl)-2-indolinone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15307-86-5
Name:	1-(2,6-Dichlorophenyl)-2-indolinone
Article Data:	50

Formula:	C₁₄H₁₁Cl₂NO₂
Molecular Weight:	296.153
Synonyms:	Aceticacid, [o-(2,6-dichloroanilino)phenyl]- (8CI);Diclac;Diclofenac acid;Diclofenamic acid;Diclomelan;Dicloreuma;N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid;Pennsaid;Voltaflan;[o-(2,6-Dichloroanilino)phenyl]acetic acid;
EINECS:	239-348-5
Density:	1.431 g/cm³
Melting Point:	156-158oC
Boiling Point:	412 ºC at 760 mmHg
Flash Point:	203 ºC
Solubility:	1.278mg/L(30 oC)
Appearance:	White to yellowish crystalline powder
PSA:	49.33000
LogP:	4.43710

Synthetic route

: 934548-15-9
[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid diethylcarbamoylmethylcarbamoyloxymethyl ester

A: 34105-57-2
2-amino-N,N-diethylacetamide

B: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With human plasma In phosphate buffer at 37℃; pH=7.4;	A n/a B 100%

: 934548-16-0
[2-(2,6-dichloro-phenylamino)-phenyl]-acetic acid 1-diethylcarbamoyl-2-phenyl-ethylcarbamoyloxymethyl ester

A: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

B: 40847-09-4
N-(phenylalanyl)-N,N-diethylamine

Conditions

Conditions	Yield
With human plasma In phosphate buffer at 37℃; pH=7.4;	A 100% B n/a

: 15307-79-6
diclofenac sodium

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With hydrogenchloride In water; acetone at 20 - 45℃; for 3h; pH=1.4 - 1.6; Solvent;	99%
With hydrogenchloride In water Cooling with ice;	90%
With hydrogenchloride In water at 0 - 20℃;	70%

: 87-65-0
2,6-Dichlorophenol

: methyl 2-(2-(2-bromopropionamido)phenyl)acetate

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 60 - 100℃; for 8h; Temperature; Reagent/catalyst;	95%

: 21789-06-0
N,N-dimethyl-o-(2,6-dichloroanilino)phenylacetamide

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water	92.9%

: 70690-44-7
2-[(2,6-dichlorophenyl)-N-benzylamino]-phenylacetic acid

: 7732-18-5
water

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

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
In tetrahydrofuran; hexane; toluene	91.2%

...Expand

: 83281-95-2
2-<(2,6-dichlorophenyl)amino>-α-(methylthio)phenylacetic acid

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With nickel In ethanol Heating;	85%

: 15362-40-0
1-(2,6-dichlorophenyl)indolin-2-one

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
In hydrogenchloride; toluene liquid HCl;	84.4%

: 26159-34-2
Naprelan

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With hydrogenchloride In water at 20℃;	82.2%

: 18698-97-0
ortho-bromophenylacetic acid

: 608-31-1
2,6-Dichloroaniline

: 15307-86-5
[2-(2,6-dichloroanilino)phenyl]acetic acid

Conditions

Conditions	Yield
With D-myo-inositol; copper; caesium carbonate In water at 100℃; for 30h;	82%

Raw Materials

608-31-1

Downstream Products

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Specification

The IUPAC name of Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]- is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid. With the CAS registry number 15307-86-5, it is also named as Diclofenac. The product's categories are Indoles and Derivatives; Pharmacetical. It is a non-steroidal anti-inflammatory drug which originated from Ciba-Geigy (now Novartis) in 1973. And it was first introduced in the UK in 1979. Additioanlly, this drug may be supplied as either the sodium or potassium salt in the United Kingdom, India, Brazil and the United States. And most often as the sodium salt in China.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.206; (4)ACD/LogD (pH 7.4): 1.437; (5)ACD/BCF (pH 5.5): 76.63; (6)ACD/BCF (pH 7.4): 1.305; (7)ACD/KOC (pH 5.5): 322.878; (8)ACD/KOC (pH 7.4): 5.501; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 76.531 cm³; (14)Molar Volume: 206.819 cm³; (15)Polarizability: 30.339×10^-24 cm³; (16)Surface Tension: 57.998 dyne/cm; (17)Enthalpy of Vaporization: 70.067 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C; (19)Rotatable Bond Count: 4; (20)Exact Mass: 295.016684; (21)MonoIsotopic Mass: 295.016684; (22)Topological Polar Surface Area: 49.3; (23)Heavy Atom Count: 19; (24)Complexity: 304.

Uses of Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]-: It is used to reduce inflammation and as an analgesic reducing pain in conditions such as arthritis or acute injury. It can also be used to reduce menstrual pain, dysmenorrhea. What's more, this drug is often used to treat chronic pain associated with cancer, particularly if inflammation is also present. It is used for musculoskeletal complaints. The Benzeneacetic acid,2-[(2,6-dichlorophenyl)amino]- is better tolerated NSAIDs. Though 20% of patients on long-term treatment experience side effects, only 2% have to discontinue the drug.

People can use the following data to convert to the molecule structure.
1. SMILES:c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl
2. InChI:InChI=1/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	intramuscular	1070ug/kg (1.07mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Annals of Internal Medicine. Vol. 117, Pg. 1058, 1992.
man	TDLo	oral	29mg/kg (29mg/kg)	BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"	Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 173, 1995.
mouse	LD50	intraperitoneal	345mg/kg (345mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 43, Pg. 44, 1993.
mouse	LD50	oral	170mg/kg (170mg/kg)		Pharmazie. Vol. 37, Pg. 148, 1982.
rat	LD50	oral	62500ug/kg (62.5mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 30, Pg. 1398, 1980.