2-(Benzo[d]thiazol-2-yloxy)acetic acid

Base Information

• Chemical Name: 2-(Benzo[d]thiazol-2-yloxy)acetic acid
• CAS No.: 2875-32-3
• Molecular Formula: C9H7NO3S
• Molecular Weight: 209.22
• Hs Code.: 2934999090
• NSC Number: 53408
• DSSTox Substance ID: DTXSID60287916
• Nikkaji Number: J101.815I
• Wikidata: Q82024119
• Mol file: 2875-32-3.mol

Synonyms:2-(Benzo[d]thiazol-2-yloxy)acetic acid;2875-32-3;2-Benzothiazole-2-oxyacetic acid;2-(1,3-benzothiazol-2-yloxy)acetic acid;Acetic acid, (2-benzothiazolyloxy)-;2-Benzothiazoloxy acetic acid;benzothiazole-2-oxyacetic acid;SCHEMBL1615034;2-Benzothiazole-2-oxyaceticacid;DTXSID60287916;NSC53408;BBL100436;GEO-00281;MFCD12546924;NSC-53408;STL554230;AKOS005254396;2-(Benzo[d]thiazol-2-yloxy)aceticacid;(1,3-Benzothiazol-2-yloxy)acetic acid;DS-16207;(1,3-Benzothiazol-2-yloxy)acetic acid #;CS-0270424;O10498;EN300-1858383;A876635

Chemical Property of 2-(Benzo[d]thiazol-2-yloxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• Refractive Index: 1.68
• Boiling Point: 387.6 °C at 760 mmHg
• Flash Point: 188.2 °C
• PSA: 98.66000
• Density: 1.479 g/cm³
• LogP: 1.41430
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.01466426
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Benzo[d]thiazol-2-yloxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)OCC(=O)O
• Uses: 2-(Benzo[d]thiazol-2-yloxy)acetic acid can be found in various plants such as chestnuts, grapevines, barks from trees.

Technology Process of 2-(Benzo[d]thiazol-2-yloxy)acetic acid

There total 3 articles about 2-(Benzo[d]thiazol-2-yloxy)acetic 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: 95.0%

ethyl 2-(benzo[d]thiazol-2-yloxy)acetate (111035-11-1) → (2-benzothiazolyloxy)acetic acid (2875-32-3)

Guidance literature:

With sodium hydroxide; In methanol; for 20h;

DOI:10.1248/cpb.51.697

Reference yield:

2-hydroxybenzothiazole (934-34-9) → (2-benzothiazolyloxy)acetic acid (2875-32-3)

Guidance literature:

2-hydroxybenzothiazole; With potassium carbonate; In acetone; for 15h; Heating / reflux;

With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃;

With hydrogenchloride; In 1,4-dioxane; water;

Reference yield:

2-chlorobenzo[d][1,3]thiazole (615-20-3) → (2-benzothiazolyloxy)acetic acid (2875-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NaH / tetrahydrofuran / 1 h / Heating

2: 95 percent / aq. NaOH / methanol / 20 h

With sodium hydroxide; sodium hydride; In tetrahydrofuran; methanol;

DOI:10.1248/cpb.51.697

upstream raw materials:

ethyl 2-(benzo[d]thiazol-2-yloxy)acetate

2-chlorobenzo[d][1,3]thiazole

2-hydroxybenzothiazole

Refernces

• 1、 Naya, Akira,Kobayashi, Kensuke,Ishikawa, Makoto,Ohwaki, Kenji,Saeki, Toshihiko,Noguchi, Kazuhito,Ohtake, Norikazu. "Structure-activity relationships of 2-(benzothiazolylthio)acetamide class of CCR3 selective antagonist". . p. 697 - 701. Retrieved 2007/10/03.