2-[4-(Sec-butyl)phenoxy]acetic acid

Base Information

• Chemical Name: 2-[4-(Sec-butyl)phenoxy]acetic acid
• CAS No.: 4917-89-9
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60387788
• Nikkaji Number: J1.586.124J
• ChEMBL ID: CHEMBL1346832
• Mol file: 4917-89-9.mol

Synonyms:2-[4-(sec-butyl)phenoxy]acetic acid;4917-89-9;(4-sec-butylphenoxy)acetic acid;2-(4-butan-2-ylphenoxy)acetic acid;MLS000099555;SMR000071311;2-(4-(Sec-butyl)phenoxy)acetic acid;SCHEMBL5279314;CHEMBL1346832;BDBM74664;cid_2913835;DTXSID60387788;HMS2370I18;2-(4-sec-butylphenoxy)acetic acid;STK068135;[4-(butan-2-yl)phenoxy]acetic acid;AKOS000288791;AKOS016036797;2-(4-butan-2-ylphenoxy)ethanoic acid;2-[4-(butan-2-yl)phenoxy]acetic acid;CS-0295570;AN-329/40879421;SR-01000243061;SR-01000243061-1;Z57294513

Chemical Property of 2-[4-(Sec-butyl)phenoxy]acetic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.66350
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

2-[4-(sec-Butyl)phenoxy]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=C(C=C1)OCC(=O)O

Technology Process of 2-[4-(Sec-butyl)phenoxy]acetic acid

There total 2 articles about 2-[4-(Sec-butyl)phenoxy]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:

C14H20O3 → (4-sec-butyl-phenoxy)-acetic acid (4917-89-9)

Guidance literature:

C₁₄H₂₀O₃; With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 1h;

With hydrogenchloride; water; In tetrahydrofuran;

Reference yield:

chloroacetic acid (79-11-8) → (4-sec-butyl-phenoxy)-acetic acid (4917-89-9)

Guidance literature:

With potassium hydroxide;

DOI:10.1039/jr9590004080

Reference yield: 82.4%

(4-sec-butyl-phenoxy)-acetic acid (4917-89-9) + (3-fluoro-4-(methylsulfonamido)phenyl)methanaminium chloride → N-(3-fluoro-4-methanesulfonylaminobenzyl)-2-(indan-5-yloxy)acetamide

Guidance literature:

(3-fluoro-4-(methylsulfonamido)phenyl)methanaminium chloride; With triethylamine; In tetrahydrofuran; for 0.0833333h;

(4-sec-butyl-phenoxy)-acetic acid; With 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride; In tetrahydrofuran; at 20 ℃;

upstream raw materials:

chloroacetic acid

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