3-Iodo-5-(methoxycarbonyl)benzoic acid

Base Information

Chemical Name:3-Iodo-5-(methoxycarbonyl)benzoic acid
CAS No.:93116-99-5
Molecular Formula:C9H7 I O4
Molecular Weight:306.057
Hs Code.:2918990090
DSSTox Substance ID:DTXSID90578788
Wikidata:Q72492102
Mol file:93116-99-5.mol

Synonyms:3-Iodo-5-(methoxycarbonyl)benzoic acid;93116-99-5;3-iodo-5-methoxycarbonylbenzoic acid;5-Iodo-isophthalic acid monomethyl ester;3-Iodo-5-(methoxycarbonyl}benzoic acid;5-Iodo-mono-methyl isophthalate;C9H7IO4;AR3107;SCHEMBL3354749;DTXSID90578788;NDJVBDKXAJSYFV-UHFFFAOYSA-N;3-methoxycarbonyl-5-iodobenzoic acid;5-methoxycarbonyl-3-iodobenzoic acid;MFCD09029574;AKOS005216366;AB49271;AS-45525;CS-0200118;A859868

Suppliers and Price of 3-Iodo-5-(methoxycarbonyl)benzoic 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

Matrix Scientific
3-Iodo-5-(methoxycarbonyl)benzoic acid 95+%
250mg
$ 341.00

Matrix Scientific
3-Iodo-5-(methoxycarbonyl)benzoic acid 95+%
1g
$ 756.00

Crysdot
3-Iodo-5-(methoxycarbonyl)benzoicacid 95+%
25g
$ 2868.00

Crysdot
3-Iodo-5-(methoxycarbonyl)benzoicacid 95+%
10g
$ 1349.00

Crysdot
3-Iodo-5-(methoxycarbonyl)benzoicacid 95+%
5g
$ 701.00

Chemcia Scientific
5-Iodo-isophthalicacidmonomethylester ＞97%
1 G
$ 195.00

American Custom Chemicals Corporation
3-IODO-5-(METHOXYCARBONYL)BENZOIC ACID 95.00%
1G
$ 691.27

American Custom Chemicals Corporation
3-IODO-5-(METHOXYCARBONYL)BENZOIC ACID 95.00%
5G
$ 1127.86

Alichem
3-Iodo-5-(methoxycarbonyl)benzoicacid
5g
$ 750.48

Alichem
3-Iodo-5-(methoxycarbonyl)benzoicacid
10g
$ 1386.18

Total 20 raw suppliers

Chemical Property of 3-Iodo-5-(methoxycarbonyl)benzoic acid

Chemical Property:

Melting Point:211-214℃
Boiling Point:427.0±40.0 °C(Predicted)
PKA:3.48±0.10(Predicted)
PSA：63.60000
Density:1.890
LogP:1.77600
Storage Temp.:2-8°C
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:305.93891
Heavy Atom Count:14
Complexity:241

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-5-(methoxycarbonyl)benzoic acid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=CC(=C1)C(=O)O)I

Technology Process of 3-Iodo-5-(methoxycarbonyl)benzoic acid

There total 2 articles about 3-Iodo-5-(methoxycarbonyl)benzoic 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: 84.0%

: 51839-15-7
5-iodo-isophthalic acid dimethyl ester

: 93116-99-5
3-iodo-5-(methoxycarbonyl)benzoic acid

Guidance literature:: 5-iodo-isophthalic acid dimethyl ester; With methanol; sodium hydroxide; In dichloromethane; at 20 ℃; for 24h;

With hydrogenchloride; In ethyl acetate;

Reference yield: 55.0%

: 28179-47-7
5-aminoisophthalic acid monomethyl ester

: 93116-99-5
3-iodo-5-(methoxycarbonyl)benzoic acid

Guidance literature:: 5-aminoisophthalic acid monomethyl ester; With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

With potassium iodide; In water; at 0 ℃;

Reference yield: 97.0%

: 288-42-6
oxazol

: 93116-99-5
3-iodo-5-(methoxycarbonyl)benzoic acid

: 142-84-7
di-n-propylamine

: methyl 1-[3-[(dipropylamino)-carbonyl]-5-(1,3-oxazol-2-yl)]benzoate

Guidance literature:: With n-butyllithium; zinc(II) chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; at -70 - 0 ℃; for 2.5h; Heating / reflux;