2-Isopropoxybenzoic acid

Base Information

• Chemical Name: 2-Isopropoxybenzoic acid
• CAS No.: 63635-26-7
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918999090
• European Community (EC) Number: 937-119-0
• DSSTox Substance ID: DTXSID90493841
• Nikkaji Number: J1.324.263A
• Wikidata: Q82340812
• Mol file: 63635-26-7.mol

Synonyms:2-isopropoxybenzoic acid;63635-26-7;2-propan-2-yloxybenzoic acid;2-(propan-2-yloxy)benzoic acid;2-Isopropoxy-benzoic Acid;Benzoic acid, 2-(1-methylethoxy)-;benzoic acid, 2-(1-methylethoxy);2-isopropoxybenzoicacid;isopropoxy benzoic acid;isopropyl-salicylic acid;SCHEMBL104892;DTXSID90493841;WWPLDSOFBMZGIJ-UHFFFAOYSA-N;2-[(Propan-2-yl)oxy]benzoic acid;MFCD00156986;AKOS000103601;FS-2300;BB 0237063;CS-0258612;FT-0743360;EN300-70611;W18748;A868082;J-506564;Z227714380

Chemical Property of 2-Isopropoxybenzoic acid

Chemical Property:

• PKA: pK1:4.24 (20°C)
• PSA: 46.53000
• LogP: 2.17200
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98%Min ^*data from raw suppliers

2-IsopropoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=CC=C1C(=O)O

Technology Process of 2-Isopropoxybenzoic acid

There total 23 articles about 2-Isopropoxybenzoic 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: 80.0%

isopropyl 2-isopropoxybenzoate (6270-67-3) → 2-isopropoxybenzoic acid (63635-26-7)

Guidance literature:

isopropyl 2-isopropoxybenzoate; With potassium tert-butylate; In dimethyl sulfoxide; at 70 ℃; for 2h;

With hydrogenchloride; water; In dimethyl sulfoxide; at 0 - 10 ℃;

Reference yield:

isopropyl bromide (75-26-3) + methyl salicylate (119-36-8,8024-54-2) → 2-isopropoxybenzoic acid (63635-26-7)

Guidance literature:

With sodium hydroxide; potassium carbonate; In N-methyl-acetamide; ethanol; water;

Reference yield:

methyl-2-isopropoxybenzoate (57009-13-9) → 2-isopropoxybenzoic acid (63635-26-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; Reflux;

DOI:10.1002/adsc.201900652

upstream raw materials:

isopropoxybenzene

2-iodo-propane

methyl salicylate

2-isopropoxybenzamide

Downstream raw materials:

isopropoxybenzene

[2-(propan-2-yloxy)phenyl]methanol

(2-Isopropoxy-phenyl)-acetonitrile

2-isopropoxy-N-(5-nitro-thiazol-2-yl)-benzamide

Refernces

• 1、 Xing, Qingyu,Liang, Huiyuan,Bao, Mingmai,Li, Xuemin,Zhang, Jingran,Bi, Tianhao,Zhang, Yilin,Xu, Jun,Du, Yunfei,Zhao, Kang. "Metal-free Synthesis of Spiro-2,2′-benzo[b]furan-3,3′-ones via PhI(OAc)2-Mediated Cascade Spirocyclization". . p. 4669 - 4673. Retrieved 2019/09/17.
• 2、 Grainger, Rachel,Cornella, Josep,Blakemore, David C.,Larrosa, Igor,Campanera, Josep M.. "The ortho-substituent effect on the Ag-Catalysed decarboxylation of benzoic acids". supporting information. p. 16680 - 16687. Retrieved 2015/03/05.