기본 정보
- CAS
68957-94-8- 표준 SMILES
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1- InChIKey
PAQZWJGSJMLPMG-UHFFFAOYSA-N- 분자식
- C9H21O6P3
- 평균 분자량
- 318.18 g/mol
- 단동위원소 질량
- 318.05509828
이름 및 식별자
- 우선 이름
- Propylphosphonic anhydride
- IUPAC
- 2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
- 영어명
- Propylphosphonic anhydride
- 분자식
- C9H21O6P3
- 분자량
- 318.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
68957-94-8- PubChem CID
- 111923
- DTXSID
DTXSID20219011- UNII
- I6EGD8839N
- EC Number
- 422-210-5、614-857-9
- Nikkaji
- J2.470.446G、J236.605C
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 335
물리화학적 성질
- 끓는 점
- 65 °C · 65 °C
- 밀도
- 1.069 g/mL · 1.069 g/mL at 25 °C
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 20 · n20/D 1.418
- 인화점
- 25 °F · 25 °F
- 저장 조건
- Flammables area
- 용해도
- 디옥산, 테라히드로푸란, 디메틸 포름아미드, 극성 및 비양성자성 유기 용매와 섞일 수 있습니다.
- 물리적 상태
- 액체
- 색상
- 투명한 노란색에서 갈색을 띤다.
- 수용성
- 9.6 g/L · 9.6g/L at 25℃
- BRN
- 5079255 · 5079255
- 안정성
- 수분에 민감한
- InChI
- 1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
- InChIKey
- PAQZWJGSJMLPMG-UHFFFAOYSA-N
- SMILES
- CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1
- LogP
- 0 at · 0 at 25℃
화학적 성질
Clear light yellow solution
안전 및 규제
GHS 분류
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Danger
H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
유해성 정보
Hazard Classes and Categories
Met. Corr. 1 (84.8%)
Met. Corr. 1 (50%)
Skin corrosion - category 1B
Skin Corr. 1B
안전 데이터
- wgk
- 1
- tsca
- Yes
- rtecs
- XS5250000
- ridadr
- UN 2924 3/PG 3
- HS 번호
- 29319019
- risk_code
- 61-20/21-34-67-66-11
- hazard_code
- T,C,F
- safety_code
- 53-26-36/37/39-45-33-16
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 2011-3-5138
- F 고인화성물질
- 21
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도Propylphosphonic anhydride may be used in the following studies:As coupling agent for the synthesis of bispyridine-based ligands, which are used as bridging linkers in multinuclear platinum anticancer drugs.Microwave-assissted Fischer indolization of arylhydrazines.As acid activating agent for the direct synthesis of acid azides from carboxylic acids.One-pot synthesis of coumarins.Microwave-mediated synthesis of carbocyclic and heterocyclic fused quinolones.One-pot synthesis of 1,2,4-oxadiazoles, 1,3,4-oxadiazoles, and 1,3,4-thiadiazoles from carboxylic acids.Activation of the carboxyl group for hydroxyamidation and peptide coupling and in the one-pot conversion of carboxylic acids into hydroxamic acids.
일반 설명Propylphosphonic anhydride (T3P) is a reactive n-propyl phosphonic acid cyclic anhydride. It is a mild and low toxic coupling agent used in peptide synthesis. T3P also acts as a promoter and water scavenger in the Friedlnder annulation reaction. It participates in the conversion of carboxylic acids and amides into nitriles, formation of Weinreb amides, ester synthesis, dehydrations, oxidation of alcohols, isonitrile synthesis, synthesis of alkenes from alcohols and C-C coupling reactions. T3P delivers outstanding advantages over traditional reagents, such as broad functional group tolerance, low epimerization, and water-soluble by-products and hence gives high purity and yield of the product.
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