1,3-아다만탄디카르복실산

한글명:1,3-아다만탄디카르복실산

카스 번호39269-10-8

상품명:1,3-Adamantanedicarboxylic acid

CBNumberCB5316047

분자식C12H16O4

포뮬러 무게224.25

MOL 파일39269-10-8.mol

동의어(한글)

1,3-아다만탄디카르복실산

화학적 성질

녹는점	276-278 °C (lit.)
끓는 점	380.6±15.0 °C(Predicted)
밀도	1.461±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
용해도	DMSO(난용성), 메탄올(약간 용해됨,가열)
산도 계수 (pKa)	4.24±0.40(Predicted)
물리적 상태	고체
물리적 상태	단단한 모양
색상	흰색에서 황백색까지
CAS 데이터베이스	39269-10-8(CAS DataBase Reference)

위험 및 안전 성명

위험 카페고리 넘버

36/37/38

안전지침서

26-36/37/39

WGK 독일

RTECS 번호

YD1994000

HS 번호

29172090

NFPA 704:

	0
0		0

그림문자(GHS)

1,3-아다만탄디카르복실산 화학적 특성, 용도, 생산

용도
1,3-Adamantanedicarboxylic acid is a carboxylic acid derivative of adamantane. It is widely used in drug industry, polymer synthesis and fine chemicals as key intermediates. It is also used as antidepressants or antiparkinsonic drugs in clinical practice.
제조 방법
1,3-Adamantanedicarboxylic acid was synthesized from 1-adamantane carboxylic acid by one-pot method. In this process, the ratio of mixed acid (nitric acid and sulfuric acid) have important effect on the yield, the role of sulfuric acid not only is solvent, but also can improve the oxidate ability of nitric acid.
Efficient Synthesis of 1,3-Adamantanedicarboxylic Acid and 1,3-Diaminoadamantane

Reaction: 1-Adamantane carboxylic acid (20 g), nitric acid (65 %, 20 mL) and sulfuric acid (98 %, 160 mL) were placed in a three-necked roundbottom flask fitted with an efficient magnetic stirrer and a thermometer. Cooled to 0 oC and held at 0 oC, anhydrous formic acid (80 %, 70 mL) was added dropwise in 5 h and reacted for 1 h. poured to crushed ice, filtered and then washed the precipitate several times with water to give a white solid. Then the white solid was dissolved in aqueous NaOH solution and the upper clear solution was separated and acidified by HCl to pH = 3. Filtered, washed with water, dried in vacuum, recrystallized from ethanol. White solid, yield 22.9 g (92 %). m.p.: 275- 276 oC
1H NMR (DMSO-d6, 400 MHz) δ: 1.616 (m, 2H), 1.691-1.727 (m, 4H), 1.759-1.791 (m, 4H), 1.850-1.882 (m, 2H), 2.059 (m, 1H), 12.062 (br, s, 2H, COOH); 13C NMR (100 MHz, DMSO-d6) δ 27.37 (C-5, C-7), 34.98 (C-6), 37.66 (C-4, C-8, C-9, C-10), 39.78 (C-2), 39.89 (C-2, C-3), 177.76 (COOH). IR (KBr, νmax, cm-1) : 2913, 2851, 2636, 1691, 1451, 1410, 1344, 1249, 1103, 1084, 952, 743, 670, 528; Anal. calcd for C12H16O4: C 64.29, H 7.14; found C 64.55, H 7.22.
Purification Methods
Dissolve the acid in aqueous NaOH, treat with charcoal, filter and acidify with dilute HCl. It crystallises from MeOH. [Stetter & Wulff Chem Ber 93 1366 1960, Beilstein 9 III 4066, 9 IV 2997.]

1,3-아다만탄디카르복실산 준비 용품 및 원자재

1,3-아다만탄디카르복실산 공급 업체

1,3-아다만탄디카르복실산 관련 검색

Send Inquriy