3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID

Product Name: 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID
CAS No.: 14670-94-1
Chemical Name: 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID
Synonyms: AKOS BC-0371;AKOS B019696;ART-CHEM-BB B019696;CHEMBRDG-BB 4013910;1,3-DIMETHYLADAMANTAN-5-CARBOXYLIC ACID;3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID;3,5-DIMETHYL-1-ADAMANTANE CARBOXYLIC ACID;3,5-Dimethyladamantane-1-carboxylic acid 97%;(3R,5S)-3,5-dimethyl-1-adamantanecarboxylate;3,5-DiMethyladaMantane-1-carboxylic acid
CBNumber: CB3447295
Molecular Formula: C13H20O2
Formula Weight: 208.3
MOL File: 14670-94-1.mol

More

Less

3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Property

Melting point:: 97-105 °C
Boiling point:: 324.1±10.0 °C(Predicted)
Density: 1.183±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Sealed in dry,Room Temperature
solubility: Sparingly Soluble (0.14 g/L) (25°C)
pka: 4.88±0.60(Predicted)
form: crystalline powder
color: White to off-white
InChI: InChI=1S/C13H20O2/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKey: BSWOQWGHXZTDOO-UHFFFAOYSA-N
SMILES: C12(C(O)=O)CC3(C)CC(CC(C)(C3)C1)C2
CAS DataBase Reference: 14670-94-1(CAS DataBase Reference)

More

Less

Safety

Hazard Codes: Xi,Xn
Risk Statements: 22
Safety Statements: 24/25
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 2916200090

More

Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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.

P405Store locked up.

More

Less

N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 679984
Product name: 3,5-Dimethyladamantane-1-carboxylic acid
Purity: 97%
Packaging: 1g
Price: $53.1
Updated: 2023/06/20

TRC

Product number: B401375
Product name: 3,5-Dimethyladamantane-1-carboxylic acid
Packaging: 500mg
Price: $60
Updated: 2021/12/16

TRC

Product number: B401375
Product name: 3,5-Dimethyladamantane-1-carboxylic acid
Packaging: 100mg
Price: $45
Updated: 2021/12/16

Apolloscientific

Product number: OR0409
Product name: 3,5-Dimethyladamantane-1-carboxylic acid
Purity: 95%
Packaging: 1g
Price: $32
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2221-1-16
Product name: 3,5-Dimethyladamantane-1-carboxylic acid
Purity: 95%
Packaging: 1g
Price: $36
Updated: 2021/12/16

More

Less

3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powde

Uses

3,5-Dimethyladamantane-1-carboxylic acid, is used as a pharmaceutical and API intermediate.

Synthesis

64-18-6

707-37-9

14670-94-1

To the same reaction apparatus as shown in Example 1 was added 3,5-dimethyl-1-adamantanol (purity: 99%, 30.0 g), followed by 96% (mass fraction) concentrated sulfuric acid (208 g). After stirring the mixture at room temperature until the ingredients were completely dissolved, the reaction system was cooled to a temperature range of 10 °C to 20 °C, and formic acid (7.76 g) was added dropwise at this temperature, the dropwise addition process lasted for 30 min. After the dropwise addition, the reaction mixture was warmed up to 35 °C and kept at this temperature for 3 hours. The reaction process was monitored by gas chromatography (GC), which confirmed 100% conversion of 3,5-dimethyl-1-adamantanol and 92.6% yield of 3,5-dimethyl-1-adamantanecarboxylic acid. Subsequently, the reaction system was again cooled to a temperature range of 10 °C to 20 °C and 70% (mass fraction) nitric acid (19.6 g) was added dropwise over 30 minutes. After completion of the dropwise addition, the reaction mixture was warmed up to 50 °C and kept at this temperature for 5 h of reaction. The reaction progress was monitored by GC and it was confirmed that the conversion of 3,5-dimethyl-1-adamantane carboxylic acid was 100% and the yield of 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid was 98.0%. Next, a mixed solution was prepared by adding sodium hydroxide (90.2 g), sodium sulfite (35.5 g), and deionized water (812 g) to the same purification apparatus as shown in Example 1, and the solution was cooled. A reaction mixture containing 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid was added to the above mixed solution under the condition that the solution temperature was maintained in the range of 10 °C to 40 °C. Subsequently, the precipitated crystals were collected by filtration and washed with deionized water. Finally, the crystals were dried under reduced pressure at 40 °C for 8 h to obtain white crystals of 3-hydroxy-5,7-dimethyladamantane-1-carboxylic acid (32.6 g, yield: 87.5%).

References

[1] Patent: US9051256, 2015, B1. Location in patent: Page/Page column 8; 9

3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

More

Less

3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID Suppliers

Belgium 1 China 64 France 1 Germany 4 India 4 Russia 1 Switzerland 2 Ukraine 1 United Kingdom 10 United States 16 Global 104

Chongqing Maohuan Chemical Co.Ltd>

Tel: 13996103726
Email: info@bschem.com
Country: China
ProdList: 172
Advantage: 58

J & K SCIENTIFIC LTD.

Tel: 18210857532; 18210857532
Fax: 86-10-82849933
Email: jkinfo@jkchemical.com
Country: China
ProdList: 96815
Advantage: 76

Alfa Aesar

Tel: 400-6106006
Fax: 021-67582001/03/05
Email: saleschina@alfa-asia.com
Country: China
ProdList: 30123
Advantage: 84

Energy Chemical

Tel: 021-021-58432009 400-005-6266
Fax: 021-58436166
Email: sales8178@energy-chemical.com
Country: China
ProdList: 44801
Advantage: 61

Wuhan Chemwish Technology Co., Ltd

Tel: 86-027-67849912
Fax: 86-027-87531808
Email: sales@chemwish.com
Country: China
ProdList: 35896
Advantage: 56

Capot Chemical Co., Ltd

Tel: +86 (0) 571 85 58 67 18
Fax: 0086-571-85864795
Country: China
ProdList: 18207
Advantage: 66

Syntechem Co.,Ltd

Tel
Fax: E-Mail Inquiry
Email: info@syntechem.com
Country: China
ProdList: 12984
Advantage: 57

Thermo Fisher Scientific

Tel: 800-810-5118
Fax: +86-10-84193589
Email: cnchemical@thermofisher.com
Country: China
ProdList: 17770
Advantage: 75

9ding chemical ( Shanghai) Limited

Tel: 4009209199
Fax: 86-021-52271987
Email: sales@9dingchem.com
Country: China
ProdList: 22514
Advantage: 55

Wuxi Zhangkun Biochemical Technology Co., Ltd.

Tel: +86 0510-85629785
Fax: +86 0510-85625359
Country: China
ProdList: 2327
Advantage: 58

More

Less

View Lastest Price from 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID manufacturers

Career Henan Chemical Co

Product: 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID 14670-94-1
Price: US $1.00/kg
Min. Order: 1g
Purity: 99%
Supply Ability: 100KG
Release date: 2018-12-21

14670-94-1, 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACIDRelated Search:

1,3-Dimethyladamantane-5-carboxylic acid AKOS BB-8730 Cyclooctanecarbaldehyde 1,3,5-TRIMETHYLADAMANTANE 2,2-DIPROPYLPENTANOIC ACID 3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID AKOS BC-0525 3,5-DIMETHYL-1-ADAMANTANEMETHANOL 3-(BROMOMETHYL)-5-METHYL-1-ADAMANTANECARBOXYLIC ACID

1,3-DIMETHYLADAMANTAN-5-CARBOXYLIC ACID

3,5-DIMETHYLADAMANTANE-1-CARBOXYLIC ACID

3,5-DIMETHYL-1-ADAMANTANE CARBOXYLIC ACID

AKOS B019696

AKOS BC-0371

CHEMBRDG-BB 4013910

ART-CHEM-BB B019696

3,5-dimethyladamantane-1-carboxylic acid(SALTDATA: FREE)

3,5-Dimethyltricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid

3,5-<WBR>DiMethyladaMantane-<WBR>1-<WBR>carboxylic acid

3,5-Dimethyladamantane-1-carboxylic acid 97%

(3R,5S)-3,5-dimethyl-1-adamantanecarboxylate

Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3,5-dimethyl-

14670-94-1

C13H20O2

Adamantane derivatives

chiral