2,5-Dichlorothiophene-3-carboxylic acid supplier

Name
2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID
EINECS
CAS No. 36157-41-2
Article Data7
CAS DataBase
Density 1.708 g/cm³
Solubility
Melting Point 147-151 °C(lit.)
Formula C₅H₂Cl₂O₂S
Boiling Point 296.6 °C at 760 mmHg
Molecular Weight 197.042
Flash Point 133.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms NSC 14775;
PSA 65.54000
LogP 2.75310

Synthetic route

: 3172-52-9
2,5-diclorothiophene

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With palladium diacetate; sodium persulfate In acetic acid at 70 - 80℃; for 7h;	1.6%

: 61200-60-0
2,5-dichlorothiophene-4-carboxaldehyde

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With silver(l) oxide

: 36157-42-3
2-chlorothiophene-4-carboxylic acid

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With chlorine; acetic acid

: 53935-71-0
2-chlorothiophene-3-carboxylic acid

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With chlorine; acetic acid

: 36157-40-1
3-acetyl-2,5-dichlorothiophene

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With sodium hypochlorite
With sodium hypochlorite In water at 55℃;

: 88-13-1
3-Thiophene carboxylic acid

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With chlorine; acetic acid
Multi-step reaction with 2 steps 1: acetic acid; chlorine 2: acetic acid; chlorine View Scheme

: 5751-80-4
thiophene-3-carboxylic acid ethyl ester

: 130562-95-7
ethyl 2,5-dichlorothiophene-3-carboxylate

: sodium thiosulfate

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; sulfuryl dichloride In tetrahydrofuran; ethanol; acetonitrile

...Expand

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 57248-14-3
2,5-dichlorothiophene-3-carbonyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 2.5h;	100%
With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2.5h;	100%
With thionyl chloride In chloroform for 2h; Heating;
With thionyl chloride In benzene for 6h; Reflux;
With thionyl chloride at 60℃; for 1h;

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 106-47-8
4-chloro-aniline

: 2,5-dichloro-N-(4-chlorophenyl)thiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: 4-chloro-aniline In N,N-dimethyl-formamide at 20℃;	95%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 371-40-4
4-fluoroaniline

: 2,5-dichloro-N-(4-fluorophenyl)thiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: 4-fluoroaniline In N,N-dimethyl-formamide at 20℃;	91%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 1709-39-3
4-(N,N-diethylaminosulfonyl)aniline

: 2,5-dichloro-N-(4-(N,N-diethylsulfamoyl)phenyl)thiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: 4-(N,N-diethylaminosulfonyl)aniline In N,N-dimethyl-formamide at 20℃;	87%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 3-carboxy-2,5-dichlorothiophene 1,1-dioxide

Conditions

Conditions	Yield
With trifluoroacetyl peroxide In acetonitrile for 4h;	80%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 62-53-3
aniline

: 2,5-dichloro-N-phenylthiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: aniline In N,N-dimethyl-formamide at 20℃;	80%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 95-51-2
2-Chloroaniline

: 2,5-dichloro-N-(2-chlorophenyl)thiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: o-chloroaniline In N,N-dimethyl-formamide at 20℃;	67%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: N-(2-(pyridin-2-yl)propan-2-yl)benzamide

: 2-(2,5-dichlorothiophen-3-yl)-N-(2-(pyridin-2-yl)propan-2-yl)benzamide

Conditions

Conditions	Yield
With copper (I) acetate; lithium carbonate; silver nitrate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; Sealed tube;	66%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 2,5-dichloro-4-nitrothiophene-3-carboxylic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at -10 - 20℃; for 3h;	66%

: 18364-47-1
N-methyl-N-(3-pyridyl)amine

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 1366573-63-8
2,5-dichlorothiophene-3-carboxylic acid methylpyridin-3-yl-amide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 4h; Stage #2: N-methyl-N-(3-pyridyl)amine With triethylamine In dichloromethane at 20℃;	65%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

A: 3172-52-9
2,5-diclorothiophene

B: 57308-99-3
2,2',5,5'-tetrachloro-3,3'-bithiophene

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; silver carbonate In dimethyl sulfoxide; N,N-dimethyl-formamide at 120℃; for 16h; Inert atmosphere;	A n/a B 57%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 75-65-0
tert-butyl alcohol

: tert‐butyl N‐(2,5‐dichlorothiophen‐3‐yl)carbamate

Conditions

Conditions	Yield
With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine at 90℃; for 12h;	56%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 144-80-9
sulphaacetamide

: N-(4-(N-acetylsulfamoyl)phenyl)-2,5-dichlorothiophene-3-carboxamide

Conditions

Conditions	Yield
Stage #1: 2,5-dichlorothiophene-3-carboxylic 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 0.0333333h; Stage #2: sulphaacetamide In N,N-dimethyl-formamide at 20℃;	50%

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 71637-34-8
3-hydroxymethyl-thiophene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 2,5-dichloro-thiophene-3-carboxylic acid amide

Conditions

Conditions	Yield
With thionyl chloride Behandeln des erhaltenen Saeurechlorids mit wss. Ammoniak;

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 88-13-1
3-Thiophene carboxylic acid

Conditions

Conditions	Yield
With palladium on activated charcoal Hydrogenation;

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 147776-47-4
5-n-butyl-2,4-dihydro-4-<(2'-sulfamoylbiphenyl-4-yl)methyl>-2-<2-(trifluoromethyl)phenyl>-3H-1,2,4-triazol-3-one

: 4'-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid (2,5-dichloro-thiophene-3-carbonyl)-amide

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,1'-carbonyldiimidazole 1.) THF, 55 deg C, 2 h, 2.) THF, 55 deg C, overnight; Yield given. Multistep reaction;

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 60-29-7
diethyl ether

lithium alanate: lithium alanate

: 71637-34-8
3-hydroxymethyl-thiophene

...Expand

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 210097-99-7
2,5-dichloro-thiophene-3-carboxylic acid methoxy-methyl-amide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2 / CHCl3 / 2 h / Heating 2: Et3N / CHCl3 / 0 - 20 °C View Scheme

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 4-(2,5-dichloro-thiophen-3-ylmethyl)-1H-imidazole

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: SOCl2 / CHCl3 / 2 h / Heating 2: Et3N / CHCl3 / 0 - 20 °C 3: CH2Cl2 / 20 °C 4: NaBH4 / propan-2-ol / 2 h / Heating 5: NaBH4; TFA / 0 - 20 °C View Scheme

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 334918-23-9
(2,5-dichloro-thiophen-3-yl)-(1-trityl-1H-imidazol-4-yl)-methanol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: SOCl2 / CHCl3 / 2 h / Heating 2: Et3N / CHCl3 / 0 - 20 °C 3: CH2Cl2 / 20 °C 4: NaBH4 / propan-2-ol / 2 h / Heating View Scheme

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: 334918-28-4
(2,5-dichloro-thiophen-3-yl)-(1-trityl-1H-imidazol-4-yl)-methanone

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2 / CHCl3 / 2 h / Heating 2: Et3N / CHCl3 / 0 - 20 °C 3: CH2Cl2 / 20 °C View Scheme

: 36157-41-2
2,5-dichlorothiophene-3-carboxylic acid

: [1]naphthyl-carbamic acid-[3]thienylmethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: lithium alanate; diethyl ether View Scheme

2,5-Dichlorothiophene-3-carboxylic acid Specification

The 3-Thiophenecarboxylicacid, 2,5-dichloro-, with the CAS registry number 36157-41-2, has the systematic name and IUPAC name of 2,5-dichlorothiophene-3-carboxylic acid. It belongs to the following product categories: Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; ThiophenesBuilding Blocks. And the molecular formula of the chemical is C₅H₂Cl₂O₂S.

The characteristics of 3-Thiophenecarboxylicacid, 2,5-dichloro- are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.05; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 41.35 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 16.39×10^-24cm³; (17)Surface Tension: 62.4 dyne/cm; (18)Density: 1.708 g/cm³; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 56.64 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000641 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1sc(Cl)c(C(=O)O)c1
(2)InChI: InChI=1/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)
(3)InChIKey: FBUUZRITKBLZJX-UHFFFAOYAX

Product Name

2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID

Synthetic route

2,5-Dichlorothiophene-3-carboxylic acid Specification

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