(S)-1,4-Benzodioxane-2-carboxylic acid

Base Information Edit

Chemical Name:(S)-1,4-Benzodioxane-2-carboxylic acid
CAS No.:70918-54-6
Molecular Formula:C9H8 O4
Molecular Weight:180.16
Hs Code.:2932999099
European Community (EC) Number:634-733-8
DSSTox Substance ID:DTXSID20350736
Nikkaji Number:J1.700.760B
Wikidata:Q27451120
Mol file:70918-54-6.mol

Synonyms:70918-54-6;(S)-1,4-Benzodioxane-2-carboxylic acid;(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid;(S)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid;(S)-2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid;(2S)-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid;(S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid;MFCD00239408;(S)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylic Acid;(S)-1,4-Benzodioxan 2-carboxylic acid;0JD;(S)-1,4-Benzodioxane-2-carboxylicacid;4de5;4g5f;SCHEMBL1300333;1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, (2S)-;DTXSID20350736;HMBHAQMOBKLWRX-QMMMGPOBSA-N;(s)-1,4-benzodioxan-2-carboxylic;AMY21353;N-acetyl-dl-phenylalanine crystalline;AKOS015855844;AKOS015899815;CS-W017222;AC-30246;AS-37656;A9323;(2S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid;Q27451120;(S)-1,4-Benzodioxane-2-carboxylic acid, >=97.0% (sum of enantiomers, GC)

Suppliers and Price of (S)-1,4-Benzodioxane-2-carboxylic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(S)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylicAcid
2.5g
$ 605.00

SynQuest Laboratories
(S)-1,4-Benzodioxane-2-carboxylic acid 95%
1 g
$ 696.00

SynQuest Laboratories
(S)-1,4-Benzodioxane-2-carboxylic acid 95%
250 mg
$ 240.00

Sigma-Aldrich
(S)-1,4-Benzodioxane-2-carboxylic acid ≥97.0% (sum of enantiomers, GC)
500mg
$ 189.00

Crysdot
(S)-1,4-Benzodioxane-2-carboxylic acid 95+%
1g
$ 290.00

Chemenu
(S)-1,4-Benzodioxane-2-carboxylic acid 95%
5g
$ 661.00

Biosynth Carbosynth
(S)-2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
1 g
$ 450.00

Biosynth Carbosynth
(S)-2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
250 mg
$ 160.00

Biosynth Carbosynth
(S)-2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
100 mg
$ 100.00

Biosynth Carbosynth
(S)-2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
50 mg
$ 65.00

Total 48 raw suppliers

Chemical Property of (S)-1,4-Benzodioxane-2-carboxylic acid Edit

Chemical Property:

Melting Point:96-99 ºC
Boiling Point:347.2 °C at 760 mmHg
PKA:2.69±0.20(Predicted)
Flash Point:145.4 °C
PSA：55.76000
Density:1.379 g/cm₃
LogP:0.91100
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:180.04225873
Heavy Atom Count:13
Complexity:204

Purity/Quality:

99% ^*data from raw suppliers

(S)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC2=CC=CC=C2O1)C(=O)O
Isomeric SMILES:C1[C@H](OC2=CC=CC=C2O1)C(=O)O
Uses (S)-2,3-Dihydrobenzo[1,4]dioxine-2-carboxylic Acid is an intermediate used to prepare 2-[4-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-1-yl] derivatives as α1-adrenoceptor antagonists and antihypertensive agents. It is also used to synthesize G protein-coupled receptor antagonists.

Technology Process of (S)-1,4-Benzodioxane-2-carboxylic acid

There total 29 articles about (S)-1,4-Benzodioxane-2-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%