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3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate | CAS No. 122341-56-4

3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate

Basic Information

Chemical_Structure_Of
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CAS Number

122341-56-4

Molecular Formula

C18H23O7P

Molecular Weight

382.35 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Boiling Point

548.6°C at 760 mmHg

SMILES

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COC1(C2(C3CC4CC(C3)CC2C4)OO1)C5=CC(=CC=C5)OP(=O)(O)O

InChI

InChI=1S/C18H23O7P/c1-22-18(13-3-2-4-16(10-13)23-26(19,20)21)17(24-25-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15H,5-9H2,1H3,(H2,19,20,21)/t11-,12+,14-,15+,17?,18?

InChIKey

XYIPYISRNJUPBA-SRAKYOTGSA-N

LogP

3.114000000000001

Topological Polar Surface Area

94.45000000000002 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

591

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3-((1r,3r,5r,7r)-4'-methoxyspiro[adamantane-2,3'-[1,2]dioxetan]-4'-yl)phenyl dihydrogen phosphate
  • AM9716
  • A804879
  • DTXSID20924138
  • MFCD08704558
  • EX-A2648
  • BCP07635
  • Phenol, 3-(4-methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)-, dihydrogen phosphate
  • 3-(2'-Spiroadamantane)-4-methoxy-4-(3''-phosphoryloxy)phenyl-1,2-dioxetane
  • 122341-56-4
  • AKOS025311572
  • AMPPD
  • S-7601
  • 3-(2-Spiroadamantane)-4-methoxy-4-(3-phosphoryloxy)phenyl-1,2-dioxetane
  • 3-{3'-METHOXYSPIRO[ADAMANTANE-2,2'-[1,4]DIOXETAN]-3'-YL}PHENOXYPHOSPHONIC ACID
  • Lumi-Phos Plus
  • Lumigen PPD
  • 4-Methoxy-4-(3-phosphatephenyl)spiro(1,2-dioxetane)-3,2'-adamantane
  • 3-(4'-Methoxyspiro[adamantane-2,3'-[1,2]dioxetan]-4'-yl)phenyl dihydrogen phosphate
  • AKOS015896576
  • Ppd-substrate
  • Phenol, 3-(4-methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.13,7]decan]-4-yl)-, 1-(dihydrogen phosphate)
  • 3-(4'-Methoxyspiro[adamantane-2,3'-[1,2]dioxetan]-4'-yl)phenyl dihydrogen
  • 3-(4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl)phenyl dihydrogen phosphate
  • (3-{3'-methoxyspiro[adamantane-2,2'-[1,4]dioxetan]-3'-yl}phenoxy)phosphonic acid
  • HY-15906
  • 3-(4-Methoxyspiro(1,2-dioxetane-3,2'-tricyclo(3.3.1.1(3,7))decan)-4-yl)phenyl phosphate
  • S-7600
  • FT-0660583
  • [3-(3'-methoxyspiro[adamantane-2,4'-dioxetane]-3'-yl)phenyl] dihydrogen phosphate
  • SCHEMBL1425353

MDL Number

MFCD08704558

FAQ

What is 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4)?
3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4) is a complex phosphate ester compound featuring a spiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan] core with a methoxy group and a phenyl dihydrogen phosphate moiety. It exhibits stability under controlled conditions and is primarily of interest in specialized chemical research due to its unique molecular structure.

What are the main uses of 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4)?
This compound is mainly used in pharmaceutical research as a potential intermediate for drug development, in industrial chemistry for synthesizing phosphate-based materials, and in organic synthesis studies. Its applications are limited to specialized fields due to the complexity of its structure, though it may serve as a reagent in chemical reactions involving phosphate esters and spiro systems.

Is 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4) safe?
The safety of 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4) depends on handling and exposure. While no specific toxicity data is widely available, general precautions for phosphate esters apply, such as avoiding skin contact, using proper ventilation, and adhering to safety standards like OSHA for chemical handling.

How should 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4) be stored?
Store 3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate (CAS: 122341-56-4) in a cool, dry place (ideally 2-8°C), away from direct light, and in airtight containers to prevent moisture ingress. Avoid exposure to heat and incompatible substances to maintain stability and safety.

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ShangHaiLangXu Biotechnology Co Ltd

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3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate — HuBeiShiShun Biotechnology Co Ltd

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3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate — ShangHaiMaiRuiErShengHua Technology Co Ltd

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3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate — TianMenHengChang Chemical Co Ltd

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3-[(1'R,3r,3'S,5'r,7'r)-4-Methoxyspiro[1,2-dioxetane-3,2'-tricyclo[3.3.1.1~3,7~]decan]-4-yl]phenyl dihydrogen phosphate — Beijing Bailingwei Technology Co., Ltd.

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