Propylphosphonic anhydride

HCID 111923

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

68957-94-8propylphosphonic anhydride1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxideI6EGD8839NPropanephosphonic acid cyclic anhydrideDTXSID20219011EC 422-210-52,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinanePROPYLPHOSPHONIC ANHYDRIDE [MI]PROPANEPHOSPHONIC ACID CYCLIC TRIMER2,4,6-TRIPROPYL-1,3,5-TRIOXA-2,4,6-TRIPHOSPHINANE-2,4,6-TRIOXIDERefChem:869867
이름 더 보기
T3P1-PROPANEPHOSPHONIC ANHYDRIDEPPACA1-PROPYLPHOSPHONIC ACID CYCLIC ANHYDRIDE2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxidePPAAPROPANE PHOSPHONIC ACID ANHYDRIDE
DTXCID40141502422-210-51-propanephosphonic acid cyclic anhydride2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxideMFCD00006583propylphosphonic acid anhydride2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane 2,4,6-trioxide

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

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

화학적 성질

Clear light yellow solution

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Regulatory InformationStatus: Active Update: 30-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20832
Hazard Classes and Categories · 4건

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

화학 및 산업

응용 분야 · 2건

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.

관련 반응

910건

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