1,3-Benzenedibutanoic acid

Base Information

Chemical Name:1,3-Benzenedibutanoic acid
CAS No.:54698-75-8
Molecular Formula:C14H18O4
Molecular Weight:250.29000
Hs Code.:
DSSTox Substance ID:DTXSID80396357
Nikkaji Number:J1.542.550D
Wikidata:Q82197024

Synonyms:1,3-Benzenedibutanoic acid;54698-75-8;4-[3-(3-carboxypropyl)phenyl]butanoic Acid;4,4'-(1,3-Phenylene)dibutanoic acid;starbld0044743;Benzene-1,3-dibutanoic acid;DTXSID80396357;A1-32986

Suppliers and Price of 1,3-Benzenedibutanoic acid

Supply Marketing:

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
4,4''-(1,3-Phenylene)dibutanoicAcid
100mg
$ 1320.00

TRC
4,4''-(1,3-Phenylene)dibutanoicAcid
50mg
$ 765.00

TRC
4,4''-(1,3-Phenylene)dibutanoicAcid
10mg
$ 165.00

A1 Biochem Labs
4-[3-(3-Carboxypropyl)phenyl]butanoicacid 95%
2.5 g
$ 1400.00

Total 1 raw suppliers

Chemical Property of 1,3-Benzenedibutanoic acid

Chemical Property:

Melting Point:132-136 °C
Boiling Point:446.1±25.0 °C(Predicted)
PSA：74.60000
Density:1.189±0.06 g/cm3(Predicted)
LogP:2.50120
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:250.12050905
Heavy Atom Count:18
Complexity:249

Purity/Quality:

99% ^*data from raw suppliers

4,4''-(1,3-Phenylene)dibutanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)CCCC(=O)O)CCCC(=O)O

Technology Process of 1,3-Benzenedibutanoic acid

There total 11 articles about 1,3-Benzenedibutanoic 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: 55.4%

: 93304-18-8
1,3-Bis(4-pentenyl)benzene

: 54698-75-8
4,4'-(benzene-1,3-diyl)dibutanoic acid

Guidance literature:: With potassium permanganate; sodium periodate; potassium carbonate; In water; tert-butyl alcohol;
DOI:10.1021/jo00200a037

Reference yield:

: 626-19-7
Isophthalaldehyde

: 54698-75-8
4,4'-(benzene-1,3-diyl)dibutanoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: (i) Py, (ii) (decarboxylation)

2: H₂, aq. NaOH / Pd-C

3: (i) SOCl₂, (ii) /BRN= 1098229/

4: LiAlH₄ / diethyl ether

5: NaBr, aq. H₂SO₄

7: (hydrolysis)

With sodium hydroxide; lithium aluminium tetrahydride; sulfuric acid; hydrogen; sodium bromide; palladium on activated charcoal; In diethyl ether;
DOI:10.1021/jo00898a025

Reference yield:

: 37710-81-9
1,3-phenylene-3,3′-bis(2-propenoic) acid

: 54698-75-8
4,4'-(benzene-1,3-diyl)dibutanoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: H₂, aq. NaOH / Pd-C

2: (i) SOCl₂, (ii) /BRN= 1098229/

3: LiAlH₄ / diethyl ether

4: NaBr, aq. H₂SO₄

6: (hydrolysis)

With sodium hydroxide; lithium aluminium tetrahydride; sulfuric acid; hydrogen; sodium bromide; palladium on activated charcoal; In diethyl ether;
DOI:10.1021/jo00898a025