CAS 2743-38-6 Dibenzoyltartaric acid (HCID 75969)

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기본 정보

CAS: 2743-38-6
표준 SMILES: O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1
InChIKey: YONLFQNRGZXBBF-ZIAGYGMSSA-N
분자식: C18H14O8
평균 분자량: 358.3 g/mol
단동위원소 질량: 358.0688674

개요

SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt

이름 및 식별자

우선 이름: Dibenzoyltartaric acid
IUPAC: (2R,3R)-2,3-dibenzoyloxybutanedioic acid
현지명: 디벤조일-L-타르타릭산
영어명: Dibenzoyl-L-tartaric acid
분자식: C18H14O8
분자량: 358.3

이름 및 동의어

Dibenzoyl-L-tartaric acid(2R,3R)-2,3-bis(benzoyloxy)succinic acid(-)-Dibenzoyl-L-tartaric acidButanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-(2R,3R)-2,3-bis(benzoyloxy)butanedioic acidDTXSID60334012,3-Bis(benzoyloxy)tartaric acidTartaric acid, dibenzoate, (-)-(-)-Dibenzoyl-L(+)-tartaric acidEINECS 220-374-0dibenzoyltartric acidNSC 118224

이름 더 보기

다이벤조일-L-타타르산디벤조일-L-타르타릭산다벤조일-L-타르타린산모노하이드레이트Dibenzoyl-L-tartaricL-(-)-DIBENZOYL TARTARIC ACIDl(-)-dibenzoyl-l-tartaric acid(-)-2,3-dibenzoyl-l-tartaric acidO,O'-Dibenzoyl-L-Tartaric Acid Anhydrous6160/12/9NSC 338494

BRN 0709854Dibenzoyl d-tartaric acid3Q14B666VM(-)-Dibenzoyl tartaric acid2,3-Bis(benzoyloxy)-butanedioic acid, (R-(R*,R*))-Butanedioic acid, 2,3-bis(benzoyloxy)-, (R-(R*,R*))-DTXCID4013401O,O-Dibenzoyl-(+)-tartaric acid

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 127 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 26
형식 전하: 0
복잡도: 483

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organic Acids

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 152 · 152-155 °C(lit.)
끓는 점: 234 °C · 234 °C / 7mmHg
밀도: 1.3806 · 1.3806 (rough estimate)
증기압: 0 Pa · 0Pa at 20℃
굴절률: -116 ° · -116 ° (C=1, EtOH)
저장 조건: Refrigerator
용해도: DMSO(약간 용해됨), 에탄올(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 1.85 · 1.85±0.25(Predicted)
물리적 상태: 고체 또는 결정성 분말
색상: 황백색에서 주황색, 연한 갈색까지
수용성: 물에 약간 용해됩니다.
BRN: 709854 · 709854
InChI: 1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
InChIKey

안전 및 규제

유해성 정보

Hazards SummaryA moderate eye irritant (causes mild irritation when rinsed after 4 seconds); [RTECS] A strong eye irritant; [Sigma-Aldrich MSDS]

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: WW8070000
HS 번호: 29181990
risk_code: 36
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 3-9
Hazard Classifications: Eye Dam. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed to make fine and large scale chemicals; [ExPub: ECHA REACH Registrations]

General Manufacturing InformationButanedioic acid, 2,3-bis(benzoyloxy)-, (2R,3R)-: ACTIVE

응용 분야 · 2건

개요Dibenzoyl-L-tartaric acid is a kind of white crystalline powder, and odorless, mildly bitter flavor, be slightly soluble in water, and pH value is 3-4, in acid, dissolves in ethanol and acetone and other organic solvent. Be widely used in chiral separation of racemic amine compounds. Because it is cheap, has stable properties, and is easy to recycle, it has good industrial application value.

용도(-)-Dibenzoyl-L-tartaric acid, anhydrous is used as a reagent used to produce chiral salts. Also used as organic chemical synthesis intermediate.