모든 사진(1)

문서

157996

1,3-Cycloheptadiene

Name: 1,3-Cycloheptadiene
Brand: ALDRICH

95%

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모든 사진(1)

About This Item

실험식(Hill 표기법):

C₇H₁₀

CAS Number:

4054-38-0

Molecular Weight:

94.15

Beilstein:

1847604

EC Number:

223-762-8

MDL number:

MFCD00004155

UNSPSC 코드:

12352100

PubChem Substance ID:

24849713

NACRES:

NA.22

추천 제품

Slide 1 of 10

1 of 10

Sigma-Aldrich

C99205

Cycloheptatriene

Sigma-Aldrich

C100005

1,3-Cyclohexadiene

Sigma-Aldrich

274100

cis,cis-1,3-Cyclooctadiene

Sigma-Aldrich

86473

α-Terpinene

Sigma-Aldrich

104353

Tetrafluoro-1,4-benzoquinone

Sigma-Aldrich

252832

Tropone

Sigma-Aldrich

232017

Tetrachloro-1,4-benzoquinone

Sigma-Aldrich

29570

1,3-Cyclooctadiene

Sigma-Aldrich

125415

1,4-Cyclohexadiene

Sigma-Aldrich

D223204

Duroquinone

분석

95%

불순물

≤3% cycloheptatriene

refractive index

n20/D 1.498 (lit.)

bp

120-121 °C (lit.)

density

0.868 g/mL at 25 °C (lit.)

저장 온도

2-8°C

SMILES string

C1CC=CC=CC1

InChI

1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2

InChI key

GWYPDXLJACEENP-UHFFFAOYSA-N

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일반 설명

1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.

애플리케이션

1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.

부속물

제품 번호

설명

가격

Z693847

Scienceware^® Break-Safe^™ ampule opener, allows one handed opening of up to 3 ampules at a time

픽토그램

GHS02,GHS08

신호어

Danger

유해 및 위험 성명서

H225,H304

예방조치 성명서

P210 - P233 - P240 - P241 - P301 + P310 - P331

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

51.8 °F - closed cup

Flash Point (°C)

11 °C - closed cup

개인 보호 장비

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

시험 성적서(COA)

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문서 라이브러리 방문

이미 열람한 고객

Slide 1 of 2

1 of 2

Sigma-Aldrich

B33803

Bicyclo[2.2.1]hepta-2,5-diene

Sigma-Aldrich

246050

1,5-Cyclooctadiene

Stability and thermal rearrangement of (E,E)-1,3-cycloheptadiene and trans-bicyclo[3.2.0]hept-6-ene.

Changyong Qin et al.

The journal of physical chemistry. A, 110(5), 2034-2038 (2006-02-03)

The highly strained (E,E)-1,3-cycloheptadiene was shown to be a minimum on the potential energy surface; two structural isomers were found at the MP2 level, but multiconfiguration self-consistent field calculations show that only one is a true minimum. The isomerization of

[1,5] Sigmatropic hydrogen shifts in cyclic 1,3-dienes.

B Andes Hess et al.

The Journal of organic chemistry, 67(17), 6025-6033 (2002-08-17)

Density functional calculations have been carried out for [1,5] hydrogen shifts in 1,3-cycloalkadienes (cyclohexadiene, cycloheptadiene, and cyclooctadiene). The complexity of the potential surfaces of these reactions was found to increase with ring size. For 1,3-cyclohexadiene a single transition structure for

Synthesis of enantiopure termini-differentiated heptane stereotriads. Application to side chain-functionalized tetrahydrofurans of IKD-8344.

W Jiang et al.

Organic letters, 2(15), 2181-2184 (2000-08-10)

Enantiopure epoxy cycloheptenyl sulfones syn-7b and anti-7b are prepared in five high-yielding and stereospecific operations from 1, 3-cycloheptadiene. These substrates serve as effective precursors for cis- and trans-substituted tetrahydrofurans (12, 10) which are segments of the antineoplastic agent IKD-8344.

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문서

1,3-Cycloheptadiene