Cas no 91318-10-4 (trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8)

trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 structure
91318-10-4 structure
Product Name:trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8
CAS No:91318-10-4
MF:C18H20O2
MW:276.399498939514
CID:799582
Update Time:2025-11-02

trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 Chemical and Physical Properties

Names and Identifiers

    • Phen-2,6-d2-ol,4,4'-[1,2-di(ethyl-1,1-d2)-1,2-ethenediyl]bis-, (E)- (9CI)
    • trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8
    • trans-Diethyl-1,1,1',1'-stilbestrol-3,3',5,5'-d8
    • (4R)-<4-2H>NADPH
    • [4,4',6,6',8,8'-2H8] trans-diethylstilbesterol
    • <4-(N,N-dimethylamino)phenyl>trimethylsilane
    • <4(R)-(2)H>NADPH
    • 1-Dimethylamino-4-trimethylsilylbenzene
    • 4-(trimethylsilyl)-N,N-dimethylaniline
    • Aniline,N,N-dimethyl-p-(trimethylsilyl)-(6CI,7CI,8CI)
    • Benzenam
    • Me3SiC6H4-p-NMe2
    • N,N-dimethyl-4-(trimethylsilyl)aniline
    • N,N-Dimethyl-p-(trimethylsilyl)aniline
    • p-(Trimethylsilyl)-N,N-dimethylaniline
    • Trimethyl-(4-N,N-dimethylphenyl)silane
    • 4,4′-[(1E)-1,2-Di(ethyl-1,1-d2)-1,2-ethenediyl]bis[phen-2,6-d2-ol] (ACI)
    • Phen-2,6-d2-ol, 4,4′-[1,2-di(ethyl-1,1-d2)-1,2-ethenediyl]bis-, (E)- (9CI)
    • Inchi: 1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+/i3D2,4D2,9D,10D,11D,12D
    • InChI Key: RGLYKWWBQGJZGM-XWCVKCCGSA-N
    • SMILES: C(/C1C=C([2H])C(O)=C([2H])C=1)(\C([2H])([2H])C)=C(\C1C=C([2H])C(O)=C([2H])C=1)/C([2H])([2H])C

Computed Properties

  • Exact Mass: 276.19700

Experimental Properties

  • Melting Point: 169-172°C
  • PSA: 40.46000
  • LogP: 4.82860

trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 Pricemore >>

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trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 Production Method

Production Method 1

Reaction Conditions
Reference
Deuterium labeling of diethylstilbestrol and analogs
Liehr, Joachim G.; et al, Steroids, 1982, 40(6), 713-22

trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 Preparation Products

Additional information on trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8

Comprehensive Guide to trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 (CAS No. 91318-10-4): Properties, Applications, and Market Insights

The compound trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 (CAS No. 91318-10-4) is a deuterated analog of diethylstilbestrol (DES), a synthetic nonsteroidal estrogen. This deuterium-labeled variant is widely used in pharmaceutical research, metabolite studies, and analytical chemistry. The incorporation of deuterium atoms at specific positions enhances its utility in mass spectrometry and NMR spectroscopy, making it a valuable tool for tracking metabolic pathways and studying drug interactions.

One of the key features of trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 is its stability under physiological conditions, which allows researchers to monitor its behavior in biological systems with high precision. This property is particularly relevant in the context of endocrine-disrupting chemicals (EDCs), a hot topic in environmental and health sciences. As public awareness grows about the impact of EDCs on human health, the demand for reliable analytical standards like 91318-10-4 has surged.

The applications of trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 extend beyond basic research. It is frequently employed in the development of quantitative assays for estrogenic compounds in environmental samples, such as water and soil. With increasing regulatory scrutiny on environmental pollutants, laboratories worldwide rely on this compound to ensure accurate and reproducible results. Its role in quality control and method validation cannot be overstated.

From a market perspective, the demand for deuterated compounds like 91318-10-4 is on the rise, driven by advancements in precision medicine and personalized healthcare. Pharmaceutical companies and contract research organizations (CROs) are investing heavily in deuterated analogs to improve drug development processes. This trend aligns with the growing interest in stable isotope labeling techniques, which are crucial for understanding drug metabolism and pharmacokinetics.

Researchers often search for information on the synthesis and handling of trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8, as well as its storage conditions and shelf life. Proper storage in a cool, dry environment is essential to maintain its integrity, and users are advised to consult the material safety data sheet (MSDS) for detailed guidelines. Additionally, the compound’s compatibility with various analytical techniques is a common query among scientists.

In summary, trans-Diethyl-1,1,1’,1’-stilbestrol-3,3’,5,5’-d8 (CAS No. 91318-10-4) is a versatile and indispensable tool in modern research. Its applications span pharmaceutical development, environmental monitoring, and clinical diagnostics, reflecting its broad utility. As the scientific community continues to explore the complexities of estrogenic compounds, this deuterated analog will remain a cornerstone of innovative research.

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