4-(3-bromophenyl)oxane-4-carboxylic Acid

Base Information

Chemical Name:4-(3-bromophenyl)oxane-4-carboxylic Acid
CAS No.:179420-77-0
Molecular Formula:C12H13BrO3
Molecular Weight:285.137
Hs Code.:2932999099
DSSTox Substance ID:DTXSID50460291
Wikidata:Q82284292
Mol file:179420-77-0.mol

Synonyms:4-(3-bromophenyl)oxane-4-carboxylic Acid;179420-77-0;4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylic acid;2H-Pyran-4-carboxylic acid, 4-(3-bromophenyl)tetrahydro-;4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid;4-(3-bromo-phenyl)-tetrahydro-pyran-4-carboxylic acid;SCHEMBL4501046;DTXSID50460291;QQHCLIPWQURSGS-UHFFFAOYSA-N;MFCD11642684;AKOS009375561;KS-7265;NCGC00336322-01;CS-0047353;FT-0756372;EN300-49583;W15086;AB01330239-02;J-011449;Z390130640;4-(3-Bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid

Suppliers and Price of 4-(3-bromophenyl)oxane-4-carboxylic 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

Crysdot
4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid 95+%
1g
$ 533.00

ChemScene
4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid
5g
$ 1592.00

ChemScene
4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid
1g
$ 531.00

Chemenu
4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid 95%
1g
$ 503.00

American Custom Chemicals Corporation
4-(3-BROMOPHENYL)OXANE-4-CARBOXYLIC ACID 95.00%
2.5G
$ 1473.14

American Custom Chemicals Corporation
4-(3-BROMOPHENYL)OXANE-4-CARBOXYLIC ACID 95.00%
5G
$ 1928.08

American Custom Chemicals Corporation
4-(3-BROMOPHENYL)OXANE-4-CARBOXYLIC ACID 95.00%
1G
$ 983.52

AK Scientific
4-(3-Bromophenyl)oxane-4-carboxylicAcid
500mg
$ 546.00

AK Scientific
4-(3-Bromophenyl)oxane-4-carboxylicAcid
250mg
$ 340.00

AK Scientific
4-(3-Bromophenyl)oxane-4-carboxylicAcid
100mg
$ 268.00

Total 9 raw suppliers

Chemical Property of 4-(3-bromophenyl)oxane-4-carboxylic Acid

Chemical Property:

PSA：46.53000
LogP:2.58190
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:284.00481
Heavy Atom Count:16
Complexity:261

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCC1(C2=CC(=CC=C2)Br)C(=O)O

Technology Process of 4-(3-bromophenyl)oxane-4-carboxylic Acid

There total 2 articles about 4-(3-bromophenyl)oxane-4-carboxylic 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:

: 944924-92-9
4-(3-bromo-phenyl)-tetrahydro-pyran-4-carboxylic acid methyl ester

: 179420-77-0
ethyl 4-(3-bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid

Guidance literature:: 4-(3-bromo-phenyl)-tetrahydro-pyran-4-carboxylic acid methyl ester; With lithium hydroxide; In methanol; water; at 65 ℃; for 5h;

In water; pH=2; Acidic aqueous solution;

Reference yield:

: 14062-30-7
ethyl 2-(3-bromophenyl)acetate

: 179420-77-0
ethyl 4-(3-bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: NaH; 15-crown-5 / dimethylformamide / 0.67 h / 20 °C

1.2: 69 percent / NaI / dimethylformamide / 10.5 h

2.1: 79 percent / aq. LiOH / methanol; tetrahydrofuran / 24 h / Heating

With lithium hydroxide; 15-crown-5; sodium hydride; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.53.965

Reference yield:

: 179420-77-0
ethyl 4-(3-bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid

: 885068-71-3
3-(4-tetrahydro-pyran-4-carboxylic acid)-phenylboronic acid

Guidance literature:: ethyl 4-(3-bromophenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylic acid; With n-butyllithium; In tetrahydrofuran; pentane; at -78 ℃; for 2h;

boric acid tributyl ester; In tetrahydrofuran; pentane; at -78 - -20 ℃; for 1.5h;

With hydrogenchloride; In water; pH=2; Acidic aqueous solution;