7-AMCA supplier | CasNO.24701-69-7

Name
7-AMCA
EINECS 1592732-453-0
CAS No. 24701-69-7
Article Data10
CAS DataBase
Density 1.56 g/cm³
Solubility 87.7mg/L at 20℃
Melting Point
Formula C₉H₁₂N₂O₄S
Boiling Point 519.401 °C at 760 mmHg
Molecular Weight 244.271
Flash Point 267.924 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(methoxymethyl)-8-oxo- (8CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-(methoxymethyl)-8-oxo-, (6R-trans)-;7-Amino-3-(methoxymethyl)-3-cephem-4-carboxylic acid;7-Amino-3-methoxymethyl-D3-cephem-4-carboxylic acid;5-thia-1-azabicyclo[4.2.0]oct-3-ene-4-carboxylic acid, 7-amino-3-(methoxymethyl)-8-oxo-, (6S)-;
PSA 118.16000
LogP -0.14790

Synthetic route

: (6R,7R)-7-Amino-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (R)-1-(2,2-dimethyl-propionyloxy)-ethyl ester; hydrochloride

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 25 - 30℃; for 5h; immobilized enzyme, pH 6.8;	81%

: 121-43-7
Trimethyl borate

: 75-93-4
methyl bisulfate

: 957-68-6
7-Aminocephalosporanic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
In methanol; N,N-dimethyl-formamide at 0 - 20℃; for 5h;	66.88%

...Expand

: 67-56-1
methanol

: 957-68-6
7-Aminocephalosporanic acid

A: 184696-69-3
6t-amino-(5ar)-5a,6-dihydro-3H,4H-azeto[2,1-b]furo[3,4-d][1,3]thiazine-1,7-dione

B: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid; trifluorormethanesulfonic acid at 13 - 14℃; for 0.75h; Yield given. Yields of byproduct given;

...Expand

: 957-68-6
7-Aminocephalosporanic acid

A: 184696-69-3
6t-amino-(5ar)-5a,6-dihydro-3H,4H-azeto[2,1-b]furo[3,4-d][1,3]thiazine-1,7-dione

B: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid; trifluorormethanesulfonic acid In methanol at 13 - 14℃; for 0.75h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 67-56-1
methanol

: 957-68-6
7-Aminocephalosporanic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: methanol; 7-Aminocephalosporanic acid; boron trifluoride In sulfolane Stage #2: With triethylamine In sulfolane; methanol; water
With methanesulfonic acid at 5 - 12℃; Reagent/catalyst; Temperature;

: 15690-38-7
(6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 149-73-5
trimethyl orthoformate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid In acetonitrile at 5 - 40℃; Reagent/catalyst; Solvent;
Stage #1: trimethyl orthoformate With boron trifluoride diethyl etherate In acetonitrile at -20 - 25℃; for 0.916667h; Stage #2: (6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid In acetonitrile at 25℃; Temperature;

: 121-43-7
Trimethyl borate

: 15690-38-7
(6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid at 5 - 40℃;

: 15690-38-7
(6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 77-78-1
dimethyl sulfate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid at 5 - 40℃;

: 107-31-3
Methyl formate

: 15690-38-7
(6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid at 5 - 40℃;

: 109-87-5
Dimethoxymethane

: 15690-38-7
(6R,7R)-7-amino-3-hydroxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With methanesulfonic acid at 5 - 40℃;

: 121-43-7
Trimethyl borate

: 957-68-6
7-Aminocephalosporanic acid

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
Stage #1: 7-Aminocephalosporanic acid With 1H-imidazole; 1,1,1,3,3,3-hexamethyl-disilazane In dimethyl sulfoxide at 30 - 35℃; for 1h; Inert atmosphere; Stage #2: Trimethyl borate With methanesulfonic acid In methanol; dimethyl sulfoxide at 0 - 5℃; Concentration; Solvent; Reagent/catalyst;	43 g

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80210-62-4
cefpodoxime

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at -5 - 5℃; for 2h;	82.86%
Stage #1: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate; (6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid With triethylamine In methanol at 8 - 12℃; Stage #2: With sulfuric acid In methanol; water at 0 - 20℃; pH=2.4 - 2.5; Product distribution / selectivity;
With triethylamine In methanol; water at 15 - 20℃;	81 mg

: C13H7(2)H3N4O2S3

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: cefpodoxime-d3

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; water at 20℃; for 2h; Cooling with ice;	69%

: 80195-78-4
1-iodoethyl 2,2-dimethylpropionate

: 77934-90-8
C35H33N3O6S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: cefdaloxime

B: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

C: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

D: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(E)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Conditions

Conditions	Yield
Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 80195-78-4
1-iodoethyl 2,2-dimethylpropionate

: 77934-90-8
C35H33N3O6S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: 2,2-Dimethyl-propionic acid 1-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetoxy}-ethyl ester

B: (6R,7R)-7-{2-[(Z)-Hydroxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

C: (6R,7R)-3-Methoxymethyl-7-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

D: (6R,7R)-3-Methoxymethyl-7-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine 1.) CH2Cl2, 15 deg C, 30 min; acetone, 0-5 deg C, 30 min, 2.) acetone, 20 deg C, 10 min; 20 deg C, 1 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine 1.) CH2Cl2, 15 deg C, 30 min; acetone, 0-5 deg C, 30 min, 2.) acetone, 20 deg C, 10 min; 20 deg C, 1 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 77934-90-8
C35H33N3O6S2

: 55419-51-7
2,2-dimethyl-propionic acid (RS)-1-bromo-ethyl ester

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: (6R,7R)-3-Methoxymethyl-7-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

B: (6R,7R)-3-Methoxymethyl-7-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine 1.) CH2Cl2, 15 deg C, 30 min; acetone, 0-5 deg C, 30 min, 2.) acetone, 20 deg C, 27 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
With 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine 1.) CH2Cl2, 15 deg C, 30 min; acetone, 0-5 deg C, 30 min, 2.) acetone, 20 deg C, 27 h; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 77934-90-8
C35H33N3O6S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: cefdaloxime

B: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

C: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

D: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(E)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Conditions

Conditions	Yield
Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 77934-90-8
C35H33N3O6S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: (6R,7R)-3-Methoxymethyl-7-{2-[(Z)-1-methoxy-1-methyl-ethoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

B: [(Z)-1-Methoxy-1-methyl-ethoxyimino]-[2-(trityl-amino)-thiazol-4-yl]-acetic acid; compound with triethyl-amine

C: 68672-45-7
(Z)-2-Hydroxyimino-2-(2-triphenylmethylaminothiazol-4-yl)-acetic acid

Conditions

Conditions	Yield
With triethylamine 1.) CH2Cl2, 15 deg C, 30 min, 2.) acetone, 0-5 deg C, 30 min; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 55419-51-7
2,2-dimethyl-propionic acid (RS)-1-bromo-ethyl ester

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

A: (6R,7R)-7-Amino-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (S)-1-(2,2-dimethyl-propionyloxy)-ethyl ester

B: (6R,7R)-7-Amino-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid (R)-1-(2,2-dimethyl-propionyloxy)-ethyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetone 1.) r.t., 15 min, 2.) r.t., 4 h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetone 1.) r.t., 15 min, 2.) r.t., 4 h; Yield given. Yields of byproduct given;

...Expand

: 75-77-4
chloro-trimethyl-silane

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: C15H28N2O4SSi2

Conditions

Conditions	Yield
With 1,1,1,3,3,3-hexamethyl-disilazane In dichloromethane for 3h; Heating;

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 7-[2-(2,8-bis-trifluoromethyl-quinolin-4-yloxy)-propionylamino]-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1,1,1,3,3,3-hexamethyldisilazane / CH2Cl2 / 3 h / Heating 2: 28 percent / CH2Cl2 / 2 h / -25 - -20 °C View Scheme

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: (6R,7R)-7-[2-(2,8-Bis-trifluoromethyl-quinolin-4-yloxy)-acetylamino]-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 1,1,1,3,3,3-hexamethyldisilazane / CH2Cl2 / 3 h / Heating 2: 64 percent / CH2Cl2 / 2 h / -25 - -20 °C View Scheme

2-(2-aminothiazol-4-yl)-2(Z)-(methoxyimino)mercaptobenzothiazolyl acetate: 2-(2-aminothiazol-4-yl)-2(Z)-(methoxyimino)mercaptobenzothiazolyl acetate

: 84089-73-6, 91508-00-8
1-iodoethyl isopropyl carbonate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: vantin

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane; ethyl acetate

...Expand

: 84089-73-6, 91508-00-8
1-iodoethyl isopropyl carbonate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 148893-80-5
1-(Isopropoxycarbonyloxy)ethyl (6R,7R)-7-amino-3-methoxymethyl-3-cephem-4-carboxylate p-toluenesulfonate

Conditions

Conditions	Yield
With p-toluenesulfonic acid monohydrate; 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane; di-isopropyl ether; ethyl acetate

: (benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80210-62-4
cefpodoxime

Conditions

Conditions	Yield
Stage #1: (benzothiazol-2-yl)-2-(2-aminothiazol-4-yl)-Z-2-methoxyimino-thioacetate; (6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid With triethylamine In methanol; water at 15 - 20℃; Stage #2: With sulfuric acid In methanol; water

: 94088-75-2
2-(2-amino-1,3-thiazol-4-yl)-1-(1,3-benzothiazol-2-ylsulfanyl)-2-(methoxyimino)ethan-1-one

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80210-62-4
cefpodoxime

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 5 - 25℃; pH=8 - 9; Temperature;

: C12H14N6O5S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: C21H22N8O8S3

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran; dichloromethane at 20 - 25℃; for 5h;	16.2 g

: C13H13N3O5S2

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80210-62-4
cefpodoxime

Conditions

Conditions	Yield
With triethylamine In methanol at -30 - 0℃; for 0.5h; Solvent;

7-AMCA Specification

The CAS register number of 7-AMCA is 24701-69-7. It also can be called as 7-Amino-3-methoxymethyl-3-cephem-4-carboxylic acid and 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(methoxymethyl)-8-oxo-, (6R,7R)-. The molecular formula about this chemical is C₉H₁₂N₂O₄S and the molecular weight is 244.27. It belongs to the Amines.

Physical properties about 7-AMCA are: (1)ACD/LogP: 0.53; (2)#H bond acceptors: 6; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 118.16Å²; (6)Index of Refraction: 1.663; (7)Molar Refractivity: 58.06 cm³; (8)Molar Volume: 156.6 cm³; (9)Polarizability: 23.01x10^-24cm³; (10)Surface Tension: 76.6 dyne/cm; (11)Enthalpy of Vaporization: 85.63 kJ/mol; (12)Boiling Point: 511.4 °C at 760 mmHg; (13)Vapour Pressure: 7.72E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COCC1=C(SC2C(C(=O)N2C1)N)C(=O)O
(2)InChI: InChI=1/C9H12N2O4S/c1-15-3-4-2-11-7(12)5(10)8(11)16-6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5?,8-/m0/s1
(3)InChIKey: WVPBQESNCHTWKX-DWHDZERNBF
(4)Std. InChI: InChI=1S/C9H12N2O4S/c1-15-3-4-2-11-7(12)5(10)8(11)16-6(4)9(13)14/h5,8H,2-3,10H2,1H3,(H,13,14)/t5?,8-/m0/s1
(5)Std. InChIKey: WVPBQESNCHTWKX-DWHDZERNSA-N

Product Name

7-AMCA

Synthetic route

7-AMCA Specification

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