테트라벤질피로포스페이트

Tetrabenzyl pyrophosphate

HCID 563183CAS 990-91-0

기본 정보

표준 SMILES
O=P(OCc1ccccc1)(OCc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1
InChIKey
NSBNXCZCLRBQTA-UHFFFAOYSA-N
분자식
C28H28O7P2
평균 분자량
538.5 g/mol
단동위원소 질량
538.13102722

이름 및 식별자

우선 이름
Tetrabenzyl pyrophosphate
IUPAC
dibenzyl bis(phenylmethoxy)phosphoryl phosphate
현지명
테트라벤질피로포스페이트
영어명
Tetrabenzyl pyrophosphate
분자식
C28H28O7P2
분자량
538.47

이름 및 동의어

Tetrabenzyl pyrophosphate990-91-0DTXSID00340276P,P,P',P'-Tetrakis(phenylmethyl) (diphosphate)RefChem:896712DTXCID20291357628-817-3Tetrabenzyl diphosphatePyrophosphoric acid tetrabenzyl esterdibenzyl {[bis(benzyloxy)phosphoryl]oxy}phosphonateMFCD00051941dibenzyl bis(phenylmethoxy)phosphoryl phosphate
이름 더 보기
테트라벤질피로포스페이트C2gH2gO7P2TetrabenzyLBis(phenylmethoxTetracyl pyrophosphateTetrabenzyl yrophosphateFosaprepitant Impurity STetrabenzyl Pyrophosphte
C28H28O7P2Dibenzyl [[bis-(benzyloxy)phosphoryl]oxy]phosphonateBenzyl PyrophosphateTetrabenzylpyrophosphateDiphosphoric acid, tetrakis(phenylmethyl) esterDiphosphoric acid tetrabenzyl esterTetrabenzyldiphosphatedibenzyl dibenzyloxyphosphoryl phosphate

데이터베이스 식별자

CAS
990-91-0
PubChem CID
563183
DTXSID
DTXSID00340276
UNII
Z79N85LUC6
EC Number
628-817-3
Nikkaji
J534.158B

물성

구조 계산 물성

XLogP
4.9
극성 표면적
80.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
14
무거운 원자 수
37

물리화학적 성질

녹는점
63 · 63-66 °C (lit.)
끓는 점
601.6 · 601.6±55.0 °C(Predicted)
밀도
1.289 · 1.289±0.06 g/cm3(Predicted)
증기압
0.001 Pa · 0.001Pa at 140℃
저장 조건
-20 °C · -20°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (96.2%): 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)

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19753;Status: Active Update: 03-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18954
Hazard Classes and CategoriesSkin Corr. 1B (96.2%)

규제 정보

Regulatory InformationStatus: Active Update: 28-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19753;Status: Active Update: 03-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18954

안전 데이터

wgk
3
ridadr
UN 3261 8/PG 2
HS 번호
29209090
risk_code
34
hazard_code
C
safety_code
26-36/37/39-45

화학 및 산업

응용 분야 · 1건

용도Tetrabenzyl pyrophosphate is used in the preparation of phosphoryl derivatives of shikimic acid in the presence of LDA. It is used in the preparation of dibenzyl phosphoro fluoridate in the presence of cesium fluoride as a catalyst. It is also used as a precursor in pharmaceuticals and involved in the phosphorylation of inositol derivatives.

제조 방법 · 1건

The production of tetrabenzyl pyrophosphate by the action of acyl chlorides on dibenzyl hydrogen phosphate, and a novel reaction of tetraphenyl pyrophosphate.Preparation of Tetrabenzyl Pyrophosphate: A flask fitted with a nitrogen inlet, overhead stirrer, teflon-coated thermocouple probe, and pressure-equalizing addition funnel was charged with 350 milliliters of dry (water content ≦50 μg/mL), peroxide-free tetrahydrofuran, followed by 50.0 grams (174 millimoles) of dibenzylphosphoric acid (DBP), and the resulting mixture was stirred until the solid dissolved (about 10-15 minutes). A solution of 18.9 grams (91.6 millimoles) of dicyclohexylcarbodiimide (DCC) in 215 milliliters of THF was added from the addition funnel to a stirred, cooled (water-bath) solution of DBP at a rate to maintain the temperature at about 20°-25° C. The reaction is slightly exothermic and the addition took about 30 minutes. Within minutes, a precipitate of dicyclohexylurea formed in the mixture. Stirring was continued for about 2 hours at 20°-25° C. The reaction was monitored by HPLC assay using VYDAC C-18 (300A, 4.6×250 mm) column with water (0.02M KH2PO4) acetonitrile as eluent. The reaction was complete in about 1 hour (assay showing <2 percent unreacted DBP). The mixture was then filtered while excluding moisture to remove dicyclohexylurea. The filter cake was washed with two 25 milliliter portions of THF. The solution when assayed by HPLC showed 45.9 grams (98 percent) yield of tetrabenzyl pyrophosphate (TBPP) in 620 milliliters of THF (0.137M). The filtrate was then stored at 0° C. with exclusion of moisture until the next step.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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