2-(Chroman-4-yl)acetic acid

Base Information

• Chemical Name: 2-(Chroman-4-yl)acetic acid
• CAS No.: 5655-26-5
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.214
• Hs Code.: 2932999099
• European Community (EC) Number: 860-091-5
• DSSTox Substance ID: DTXSID00557342
• Mol file: 5655-26-5.mol

Synonyms:2-(chroman-4-yl)acetic acid;5655-26-5;2-(3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid;2-(3,4-DIHYDRO-2H-CHROMEN-4-YL)ACETIC ACID;MFCD11172888;2-(Chroman-4-yl)aceticAcid;SCHEMBL8143471;DTXSID00557342;AKOS009219521;BS-17087;SY129136;CS-0119931;EN300-80203;F53121;(3,4-Dihydro-2H-1-benzopyran-4-yl)acetic acid;Z352783086

Chemical Property of 2-(Chroman-4-yl)acetic acid

Chemical Property:

• Melting Point: 90 - 92°C
• PSA: 46.53000
• LogP: 2.02740
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

95% ^*data from raw suppliers

2-(chroman-4-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=CC=CC=C2C1CC(=O)O

Technology Process of 2-(Chroman-4-yl)acetic acid

There total 7 articles about 2-(Chroman-4-yl)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: 81.0%

ethyl 2-(3,4-dihydro-2H-1-benzopyran-4-yl)-ethanoate (119304-96-0) → (±)-chroman-4-ylacetic acid (5655-26-5,121278-45-3,121278-50-0)

Guidance literature:

With potassium hydroxide; In methanol; for 1h; Heating;

DOI:10.1248/cpb.36.3453

Reference yield: 58.0%

carbon dioxide (124-38-9,18923-20-1) + 1‐bromo‐2‐(but-3‐en‐1‐yloxy)benzene (87280-00-0) → (±)-chroman-4-ylacetic acid (5655-26-5,121278-45-3,121278-50-0)

Guidance literature:

With methyl 4-tert-butylbenzoate; tetrabutylammonium tetrafluoroborate; In N,N-dimethyl-formamide; at 0 ℃; Electrolysis;

DOI:10.1055/s-0030-1260794

Reference yield:

N-(2-hydroxy-1-phenylethyl)-(3,4-dihydro-1(2H)-benzopyran-4-yl)ethanamide (121278-46-4) → (±)-chroman-4-ylacetic acid (5655-26-5,121278-45-3,121278-50-0)

Guidance literature:

With hydrogenchloride; In isopropyl acetate-petroleum ether; acetic acid;

upstream raw materials:

ethyl 2-(3,4-dihydro-2H-1-benzopyran-4-yl)-ethanoate

ethyl (E)-2-(2,3-dihydro-4H-1-benzopyran-4-ylidene)acetate

2,3-dihydro-4H-1-benzopyran-4-one

N-(2-hydroxy-1-phenylethyl)-(3,4-dihydro-1(2H)-benzopyran-4-yl)ethanamide

Downstream raw materials:

(chroman-4-yl)acetone

N-phenethyl-2-(chroman-4-yl)-1-methylethylamine