ChemicalBook > CAS DataBase List > 2,4-Dihydroxy-5-isopropylbenzoic acid

2,4-Dihydroxy-5-isopropylbenzoic acid

Product Name
2,4-Dihydroxy-5-isopropylbenzoic acid
CAS No.
1184181-48-3
Chemical Name
2,4-Dihydroxy-5-isopropylbenzoic acid
Synonyms
2,4-Dihydroxy-5-isopropylbenzoic acid;2,4-DIHYDROXY-5-(PROPAN-2-YL)BENZOIC ACID;Benzoic acid, 2,4-dihydroxy-5-(1-methylethyl)-;2,4-Dihydroxy-5-isopropylbenzoic acid ISO 9001:2015 REACH
CBNumber
CB01513695
Molecular Formula
C10H12O4
Formula Weight
196.2
MOL File
1184181-48-3.mol
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2,4-Dihydroxy-5-isopropylbenzoic acid Property

Boiling point:
395.2±27.0 °C(Predicted)
Density 
1.317±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
3.48±0.10(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C10H12O4/c1-5(2)6-3-7(10(13)14)9(12)4-8(6)11/h3-5,11-12H,1-2H3,(H,13,14)
InChIKey
JAMMFVLHQOLNOP-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC(C(C)C)=C(O)C=C1O
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Matrix Scientific
Product number
133461
Product name
2,4-Dihydroxy-5-isopropylbenzoicacid
Purity
97%
Packaging
5g
Price
$1440
Updated
2021/12/16
Matrix Scientific
Product number
133461
Product name
2,4-Dihydroxy-5-isopropylbenzoicacid
Purity
97%
Packaging
10g
Price
$1980
Updated
2021/12/16
AK Scientific
Product number
2119DV
Product name
2,4-Dihydroxy-5-isopropylbenzoicacid
Packaging
10g
Price
$2588
Updated
2021/12/16
Ambeed
Product number
A130543
Product name
2,4-Dihydroxy-5-isopropylbenzoicacid
Purity
97%
Packaging
100mg
Price
$77
Updated
2021/12/16
Ambeed
Product number
A130543
Product name
2,4-Dihydroxy-5-isopropylbenzoicacid
Purity
97%
Packaging
250mg
Price
$122
Updated
2021/12/16
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2,4-Dihydroxy-5-isopropylbenzoic acid Chemical Properties,Usage,Production

Synthesis

943519-37-7

1184181-48-3

General procedure for the synthesis of 2,4-dihydroxy-5-isopropylbenzoic acid from methyl 2,4-dihydroxy-5-isopropylbenzoate: the reaction was carried out by stirring the methyl 2,4-dihydroxy-5-isopropylbenzoate (0.24 g, 0.97 mmol) with lithium hydroxide (1 g) in a solvent mixture of methanol (10 mL) and water (10 mL) for 12 h at 50 °C, the reaction was was carried out under argon protection and equipped with a reflux condenser. Upon completion of the reaction, the reaction mixture was neutralized to pH 6 with 6N hydrochloric acid and subsequently extracted three times with ethyl acetate. The organic layers were combined, dried with anhydrous sodium sulfate, concentrated under reduced pressure and finally purified by medium pressure liquid chromatography (MPLC) to afford 2,4-dihydroxy-5-isopropylbenzoic acid in 100% yield. The thin layer chromatography (TLC) Rf value was 0.23 (ethyl acetate:hexane = 3:7).1H NMR (400 MHz, CD3OD) δ 7.68 (s, 1H), 6.35 (s, 1H), 3.25-3.22 (m, 1H), 1.27 (d, J = 4.0 Hz, 6H).13C NMR (100 MHz, CD3OD) δ 173.8, 163.3, 163.1, 129.2, 128.7, 105.4, 103.1, 27.7, 23.2.

References

[1] European Journal of Medicinal Chemistry, 2016, vol. 124, p. 1069 - 1080
[2] Patent: KR101789269, 2017, B1. Location in patent: Paragraph 0046; 0048; 0057; 0058
[3] European Journal of Medicinal Chemistry, 2018, vol. 143, p. 390 - 401

2,4-Dihydroxy-5-isopropylbenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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2,4-Dihydroxy-5-isopropylbenzoic acid Suppliers

Shanghai Boyle Chemical Co., Ltd.
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1184181-48-3, 2,4-Dihydroxy-5-isopropylbenzoic acidRelated Search:


  • 2,4-Dihydroxy-5-isopropylbenzoic acid
  • 2,4-DIHYDROXY-5-(PROPAN-2-YL)BENZOIC ACID
  • Benzoic acid, 2,4-dihydroxy-5-(1-methylethyl)-
  • 2,4-Dihydroxy-5-isopropylbenzoic acid ISO 9001:2015 REACH
  • 1184181-48-3