5-Chloro-2-thiophenecarboxylic acid supplier

Name
5-Chlorothiophene-2-carboxylic acid
EINECS -0
CAS No. 24065-33-6
Article Data32
CAS DataBase
Density 1.572 g/cm³
Solubility
Melting Point 154-158 °C(lit.)
Formula C₅H₃ClO₂S
Boiling Point 287 °C at 760 mmHg
Molecular Weight 162.597
Flash Point 127.4 °C
Transport Information
Appearance White to light yellow crystal powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Chlorothiophene-5-Formic Acid;5-18-06-00177 (Beilstein Handbook Reference);2-Thiophenecarboxylic acid, 5-chloro-;5-Chloro-2-thiophenecarboxylic acid;5-chlorothiophene-2-carboxylate;
PSA 65.54000
LogP 2.09970

Synthetic route

: 7283-96-7
5-Chloro-2-thiophenecarboxaldehyde

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 5-Chloro-2-thiophenecarboxaldehyde With sodium hydroxide at -5 - 0℃; for 2h; Large scale; Stage #2: With chlorine at 15 - 30℃; for 8h; Large scale;	98.8%
With tert.-butylhydroperoxide In dichloromethane at 35 - 40℃; for 4h; Reagent/catalyst; Temperature;	96%
With 1,4-dithio-D,L-threitol; recombinant aldehyde dehydrogenase from bovine lens; water‐forming NADH oxidase from Streptococcus mutans; NAD In aq. phosphate buffer at 40℃; for 4h; pH=8.5; Reagent/catalyst; Green chemistry; Enzymatic reaction; chemoselective reaction;

: 2873-18-9
5-bromo-2-chlorothiophene

: 124-38-9
carbon dioxide

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 5-bromo-2-chlorothiophene With iodine; magnesium In tetrahydrofuran at 22 - 28℃; Inert atmosphere; Stage #2: carbon dioxide With hydrogenchloride In water at -15℃; for 1.5h;	96.7%
Multistep reaction;

: 5-chloro-2-trichloroacetylthiophene

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In toluene at 20℃; for 2h; Reagent/catalyst; Solvent;	95%

: 6310-09-4
2-acetyl-5-chlorothiophene

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With sodium chlorite; potassium dihydrogenphosphate In water; acetone at 0 - 30℃; for 22h;	84.9%
With bromine; sodium hydroxide In 1,4-dioxane; water at 0 - 20℃;	76.1%
With sodium hydroxide; potassium permanganate; water

: 527-72-0
2-thiophenylcarboxylic acid

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With trichloroisocyanuric acid; sulfuric acid at -5 - 5℃; for 4h; Reagent/catalyst; Temperature;	82.2%
With chlorine; acetic acid

: 96-43-5
2-thienyl chloride

: 124-38-9
carbon dioxide

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 2-thienyl chloride With lithium diisopropyl amide In tetrahydrofuran at 20℃; for 0.000833333h; Flow reactor; Stage #2: carbon dioxide In tetrahydrofuran at 20℃; for 0.000138889h; Flow reactor; Stage #3: With water; acetic acid In tetrahydrofuran at 20℃; under 7500.75 Torr; Flow reactor;	77%
With ethylaluminum dichloride In hexane; chlorobenzene at 100℃; under 22502.3 Torr; for 3h; Autoclave; Inert atmosphere; regioselective reaction;	41%
Stage #1: 2-thienyl chloride With n-butyllithium In tetrahydrofuran; hexane at 0℃; Stage #2: carbon dioxide In tetrahydrofuran; hexane Stage #3: With hydrogenchloride In tetrahydrofuran; hexane; water at 0℃;	> 70 %Chromat.

: 96-43-5
2-thienyl chloride

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With palladium diacetate; sodium persulfate In acetic acid for 7h; Heating;	19.6%
With n-butyllithium; diethyl ether anschliessend Behandeln mit festem Kohlendioxid;

: 141-97-9
ethyl acetoacetate

: (5-chlorothiophen-2-yl)boronic acid

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In dimethyl sulfoxide at 100℃; for 24h; Inert atmosphere;	3%

: 96-43-5
2-thienyl chloride

: 60-29-7
diethyl ether

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With sodium amalgam Behandeln der Reaktionsloesung mit festem Kohlendioxid;
With sodium Behandeln der Reaktionsloesung mit festem Kohlendioxid;

: 3172-52-9
2,5-diclorothiophene

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With n-butyllithium; diethyl ether anschliessend Behandeln mit festem Kohlendioxid;

: 527-72-0
2-thiophenylcarboxylic acid

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

B: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With alkaline aqueous sodium hypochlorite solution anschliessend Erwaermen mit wss. Salzsaeure;

: 42518-98-9
5-chlorothiophene-2-carbonyl chloride

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 97799-98-9
5-chloro-2-thiophenecarboxylic acid N-methylamide

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With water

: 5-chloro-[2]thienyl sodium

: 60-29-7
diethyl ether

: 124-38-9
carbon dioxide

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

...Expand

: 527-72-0
2-thiophenylcarboxylic acid

: 7732-18-5
water

: 7782-50-5
chlorine

: 64-19-7
acetic acid

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

...Expand

: 527-72-0
2-thiophenylcarboxylic acid

aqueous sodium hypochlorite: aqueous sodium hypochlorite

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
und anschl. mit wss. HCl;

: 42520-87-6
5-chloro-2-acetylthiophene oxime

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 95 percent / sodium hydroxide / acetone; H2O 2: 35 percent / anhydrous sodium acetate / H2O; methanol / 60 - 70 °C 3: water View Scheme

: 97799-96-7
5-chloro-2-acetylthiophene oxime benzenesulfonate

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 35 percent / anhydrous sodium acetate / H2O; methanol / 60 - 70 °C 2: water View Scheme

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 42518-98-9
5-chlorothiophene-2-carbonyl chloride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane for 16h; Heating / reflux;	100%
With oxalyl dichloride In dichloromethane for 16h; Reflux;	100%
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 40℃; for 4h; Solvent; Reagent/catalyst; Temperature;	100%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 1037301-02-2
benzyl 3-amino-tetrahydro-furan-3-carboxylate

: 919098-95-6
3-[(5-chloro-thiophen-2-yl)-carbonylamino]-tetrahydro-furan-3-carboxylic acid benzyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; for 20h; Product distribution / selectivity;	100%
With 4-methyl-morpholine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; for 20h;	100%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 60729-37-5
4-bromo-5-chlorothiophene-2-carboxylic acid

Conditions

Conditions	Yield
With iron(III) chloride; bromine In acetic acid at 25℃; for 168h; Heating / reflux;	100%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 849020-92-4
methyl 2-(aminomethyl)benzoate hydrochloride salt

: 1057653-07-2
methyl 2-{[(5-chlorothiophen-2-yl)carbonylamino]methyl}benzoate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 28h;	100%

: 67-56-1
methanol

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 35475-03-7
methyl 5-chloro-2-thiophenecarboxylate

Conditions

Conditions	Yield
With sulfuric acid at 50 - 55℃; for 12 - 20h;	99%
With sulfuric acid at 50℃; for 20h;	95%
With hydrogenchloride at 60℃; for 16h;	94.1%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 4-isopropyl-1-methylcyclohex-3-en-1-amine

: 5-chloro-N-(4-isopropyl-1-methylcyclohex-3-en-1-yl)thiophene-2-carboxamide

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane Reflux; Stage #2: 4-isopropyl-1-methylcyclohex-3-en-1-amine With triethylamine In dichloromethane; N,N-dimethyl-formamide Reflux;	98.87%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 16367-69-4, 21691-50-9, 59624-87-2
tert-butyl D-alaninate

: 869859-84-7
(R)-2-[(5-chloro-thiophene-2-carbonyl)-amino]-propionic acid tert-butyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In tetrahydrofuran at 20℃; for 2h;	98%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 2550-36-9
(bromomethylcyclohexane)

: 1448433-72-4
cyclohexyl-methyl 5-chlorothiophene-2-carboxylate

Conditions

Conditions	Yield
With potassium carbonate at 85℃; for 72h; Inert atmosphere;	97%
With potassium carbonate at 85℃; for 72h; Inert atmosphere;	97%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 898543-06-1
4-{4-[(5S)-5-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride

: 366789-02-8
Rivaroxaban

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 25℃; for 0.5h; Stage #2: 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidine-3-yl]phenyl}morpholin-3-one hydrochloride In N,N-dimethyl-formamide at 34℃; for 4h;	96.3%
With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In N,N-dimethyl-formamide at 20℃; for 2.83333h; Reagent/catalyst; Cooling with ice;	95.2%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 24h; pH=8 - 9; Large scale;	94.7%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 39251-40-6
(R)-amino-phenyl-acetic acid ethyl ester

: 869786-01-6
(2R)-2-[(5-chloro-thiophene-2-carbonyl)-amino]-2 phenyl-acetic acid ethyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In tetrahydrofuran at 20℃; for 2h;	96%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 1240015-37-5
(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl)(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

: 1239951-93-9
(5-chlorothiophen-2-yl)(7-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid With benzotriazol-1-ol; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate In tetrahydrofuran at 25℃; for 0.5h; Inert atmosphere; Stage #2: (9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl)(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 25℃; for 15h;	96%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 7580-85-0
tert-butyl glycidyl ether

: 91505-31-6
(2-(2-methyl-2-propoxy)-ethyl) 5-chlorothiophene-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid With oxalyl dichloride In 1,2-dichloro-ethane; N,N-dimethyl-formamide at 0 - 20℃; for 2h; Stage #2: tert-butyl glycidyl ether With triethylamine In tetrahydrofuran at 0 - 20℃; for 2h;	95.56%

: 446292-10-0
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 366789-02-8
Rivaroxaban

Conditions

Conditions	Yield
With 4-methyl-morpholine; hydrogenchloride In water; N,N-dimethyl-formamide at 20℃; for 2.83333h;	95.2%
With ortho-iodophenylboronic acid In dichloromethane at 30℃; for 48h; Reagent/catalyst; Time; Concentration; Temperature; Solvent; Dean-Stark;	85%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 3h;	68.9%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: tert-butyl trans-2-(aminomethyl)cyclohexylcarbamate

: tert-butyl [(1RS,2SR)-2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)cyclohexyl]carbamate

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃;	95%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 1082937-60-7
C15H21N3O4

: 1082937-62-9
C20H22ClN3O5S

Conditions

Conditions	Yield
With diisopropyl-carbodiimide; dmap In chloroform at 0 - 20℃;	94%
With dmap; diisopropyl-carbodiimide In chloroform at 0 - 20℃;	94%
With dmap; diisopropyl-carbodiimide In chloroform at 0 - 20℃;	94%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride

: 366789-02-8
Rivaroxaban

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid; 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one hydrochloride With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate at 10 - 25℃; for 12.5h; Stage #2: With water In ethyl acetate for 1h;	94%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 4-[5-(naphtho[2,1-b]furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline

: 5-chloro-N-(4-(5-(naphtho[2,1-b]furan-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)thiophene-2-carboxamide

Conditions

Conditions	Yield
Stage #1: 4-[5-(naphtho[2,1-b]furan-2-yl)-1,3,4-oxadiazol-2-yl]aniline 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 at 20℃; Inert atmosphere; Stage #2: 5-Chlorothiophene-2-carboxylic acid In dichloromethane at 20℃; Inert atmosphere;	94%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: tert-butyl 4-(1-amino-3-methylbutyl)piperidine-1-carboxylate

: tert-butyl 4-(1-(5-chlorothiophene-2-carboxamido)-3-methylbutyl)piperidine-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℃; for 3h;	94%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: (S)-5-(aminomethyl)-3-(4-iodophenyl)oxazolidin-2-one

: (S)-5-chloro-N-((3-(4-iodophenyl)-2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide

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 3h;	93.8%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 1364510-82-6
(3R,4S)-3-amino-4-[4-(2-oxo-2H-pyridin-1-yl)-benzoylamino]-pyrrolidine-1-carboxylic acid 9H-fluoren-9-ylmethyl ester trifluoroacetic acid salt

: 766553-17-7
(3R,4S)-3-[(5-chloro-thiophene-2-carbonyl)-amino]-4-[4-(2-oxo-2H-pyridin-1-yl)-benzoylamino]-pyrrolidine-1-carboxylic acid 9H-fluoren-9-yl methyl ester

Conditions

Conditions	Yield
With 4-methyl-morpholine; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate In tetrahydrofuran at 20℃;	93%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 6-(2'-Aminothiazol-4'-yl)-3,4-dihydrocarbostyril

: 5-chloro-N-(4-(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)thiazol-2-yl)thiophene-2-carboxamide

Conditions

Conditions	Yield
With pyridine; propylphosphonic anhydride In ethyl acetate; acetonitrile at 100℃; Sealed tube;	93%

: 446292-08-6
2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 366789-02-8
Rivaroxaban

Conditions

Conditions	Yield
Stage #1: 2-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione With methylamine In ethanol; water at 60℃; for 3h; Stage #2: 5-Chlorothiophene-2-carboxylic acid With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In ethanol; water at 25℃; for 12h; Solvent; Temperature;	92.8%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 1082937-34-5
(S)-4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)benzonitrile

: 1027385-05-2
(S)-5-chloro-N-((3-(4-cyanophenyl)-2-oxooxazolidin-5-yl)methyl)thiophene-2-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 12h;	91.2%
With 4-hydroxybenzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 15h;	82%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 124-40-3
dimethyl amine

: 5-chloro-N,N-dimethylthiophene-2-carboxamide

Conditions

Conditions	Yield
Stage #1: 5-Chlorothiophene-2-carboxylic acid With thionyl chloride In N,N-dimethyl-formamide for 3h; Inert atmosphere; Reflux; Stage #2: dimethyl amine With triethylamine In diethyl ether; water at 0℃; for 1h; Inert atmosphere;	91%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: tert-butyl (S)-4-(1-amino-3-methylbutyl)piperidine-1-carboxylate

: tert-butyl (S)-4-(1-(5-chlorothiophene-2-carboxamido)-3-methylbutyl)piperidine-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℃;	91%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: tert-butyl (S)-4-(amino(cyclopropyl)methyl)piperidine-1-carboxylate

: tert-butyl (S)-4-((5-chlorothiophene-2-carboxamido)(cyclopropyl)methyl)piperidine-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℃;	91%

: 24065-33-6
5-Chlorothiophene-2-carboxylic acid

: 96-43-5
2-thienyl chloride

Conditions

Conditions	Yield
With triethylsilane; palladium diacetate; 2,2-dimethylpropanoic anhydride; 1,4-di(diphenylphosphino)-butane In toluene at 160℃; for 15h; chemoselective reaction;	91%

5-Chloro-2-thiophenecarboxylic acid Analytical Methods

The compounds of formula according to the invention having a free carboxylic radical or a free amino radical may be converted in usual manner into their pharmaceutically acceptable salts. E.g. the compound of formula is dissolved in its free form in a solvent, e.g. an alcohol or WATER, an adequate amount of hydrochlorid acid or Sodium hydroxide is added to the solution, the mixture is agitated at room temperature for an adequate period, then the solvent is distilled off, the residue is recrystallized and the salt of the compound of formula is obtained. Suitable examples for such pharmaceutically acceptable salts additionally to the salt of hydrochloric acid are the salts of SULFURIC ACID, nitric acid, phosphoric acid, sulfonic acid, benzoic acid, SUCCINIC ACID, Tartaric acid and citric acid. Examples for pharmaceutically acceptable addition salts of bases additionally to the sodium salt are the POTASSIUM salt, the calcium salt and the MAGNESIUM salt.

5-Chloro-2-thiophenecarboxylic acid Specification

5-Chloro-2-thiophenecarboxylic acid, with the CAS Registry Number 24065-33-6, has the Molecular Formula of C₅H₃ClO₂S and Molecular weight of 162.594. It is also called 2-Thiophenecarboxylic acid, 5-chloro-; 5-CHLORO-THIOPHENE-2-CARBOXILIC ACID.

Physical properties about 5-Chloro-2-thiophenecarboxylic acid are: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): -0.23; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 6.29; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 36.462 cm³; (13)Molar Volume: 103.393 cm³; (14)Polarizability: 14.455 10-24cm³; (15)Surface Tension: 60.5610008239746 dyne/cm; (16)Density: 1.573 g/cm³; (17)Flash Point: 127.364 °C; (18)Enthalpy of Vaporization: 55.568 kJ/mol; (19)Boiling Point: 286.984 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing;
3. Wear suitable gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8);
(2)InChIKey=QZLSBOVWPHXCLT-UHFFFAOYSA-N;
(3)Smilesc1(sc(Cl)cc1)C(=O)O

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03275,

Product Name

5-Chlorothiophene-2-carboxylic acid

Synthetic route

5-Chloro-2-thiophenecarboxylic acid Analytical Methods

5-Chloro-2-thiophenecarboxylic acid Specification

Related Products

Hot Products