5-(Adamant-1-yl-methoxy)pentanal

Base Information

• Chemical Name: 5-(Adamant-1-yl-methoxy)pentanal
• CAS No.: 202577-32-0
• Molecular Formula: C16H26O2
• Molecular Weight: 250.381
• DSSTox Substance ID: DTXSID00582952
• Wikidata: Q82474463
• Mol file: 202577-32-0.mol

Synonyms:202577-32-0;5-(Adamant-1-yl-methoxy)pentanal;5-(ADAMANT-1-YL-METHOXY)-PENTANAL;5-(1-adamantylmethoxy)pentanal;5-(ADAMANTAN-1-YLMETHOXY)PENTANAL;PENTANAL, 5-(TRICYCLO[3.3.1.13,7]DEC-1-YLMETHOXY)-;5-adamantylmethoxy-1-pentanal;SCHEMBL4419614;SCHEMBL14601218;DTXSID00582952;RKOWZXQOTUDIQG-UHFFFAOYSA-N;5-(adamantan-1-yl-methoxy)-pentanal;AKOS030254352;5-[(Tricyclo[3.3.1.1~3,7~]decan-1-yl)methoxy]pentanal

Chemical Property of 5-(Adamant-1-yl-methoxy)pentanal

Chemical Property:

• Appearance/Colour: Yellow oil
• Vapor Pressure: 4.82E-05mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 349.1 °C at 760 mmHg
• Flash Point: 140.1 °C
• PSA: 26.30000
• Density: 1.036 g/cm³
• LogP: 3.58860
• Solubility.: Acetone, Chloroform, Ethyl Acetate
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

5-(Adamant-1-yl-methoxy)pentanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)COCCCCC=O

Technology Process of 5-(Adamant-1-yl-methoxy)pentanal

There total 17 articles about 5-(Adamant-1-yl-methoxy)pentanal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

5-(adamantan-1-yl-methoxy)-1-pentanol (857254-46-7) → 5-(adamantan-1-yl-methoxy)-1-pentanal (202577-32-0)

Guidance literature:

5-(adamantan-1-yl-methoxy)-1-pentanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -70 ℃; for 0.25h;

With triethylamine; at -70 ℃; for 0.0833333h;

In dichloromethane; at 20 ℃;

Reference yield: 91.0%

2-(4-[adamantan-1-yl-methoxy]-butyl)-1,3-dioxolane (1029378-70-8) → 5-(adamantan-1-yl-methoxy)-1-pentanal (202577-32-0)

Guidance literature:

With hydrogenchloride; In water; acetone; Inert atmosphere;

DOI:10.1021/op2001222

Reference yield: 60.0%

C21H36O3 (1314134-15-0) → 5-(adamantan-1-yl-methoxy)-1-pentanal (202577-32-0)

Guidance literature:

With formic acid; at 45 ℃; for 3h; Inert atmosphere;

DOI:10.1021/op2001222

upstream raw materials:

5-(adamantan-1-yl-methoxy)-1-pentanol

5-(adamantan-1-yl-methoxy)-1-benzyloxy-pentane

1-adamantanemethanol

5-(benzyloxy)pentyl 4-methylbenzene-1-sulfonate

Downstream raw materials:

2,3,4,6-tetra-O-benzyl-N-[5-(adamantan-1-yl-methoxy)-pentyl]-1-deoxynojirimycin

AMP-DNM

(1S)-N-[5-(adamantan-1-yl-methoxy)-pentyl]-1-C-butyl-2,3,4,6-tetra-O-benzyl-1-deoxynojirimycin