(+)-2-Carene

Base Information

• Chemical Name: (+)-2-Carene
• CAS No.: 4497-92-1
• Deprecated CAS: 1415-99-2
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 2902199090
• European Community (EC) Number: 224-792-4
• UNII: 4QX1KE38EF
• DSSTox Substance ID: DTXSID80884082
• Nikkaji Number: J205.869C
• Wikidata: Q27260378
• Metabolomics Workbench ID: 116368
• Mol file: 4497-92-1.mol

Synonyms:(+)-2-carene;2-carene

Chemical Property of (+)-2-Carene

Chemical Property:

• Melting Point: 25°C (estimate)
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 167.5°Cat760mmHg
• Flash Point: 38.3°C
• PSA: 0.00000
• Density: 0.879g/cm³
• LogP: 2.99870
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 186

Purity/Quality:

99.9% ^*data from raw suppliers

(+)-2-Carene 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC2C(C2(C)C)CC1
• Isomeric SMILES: CC1=C[C@H]2[C@H](C2(C)C)CC1

Technology Process of (+)-2-Carene

There total 28 articles about (+)-2-Carene 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: 83.0%

C30H45BO → (R)-1-Phenylbut-3-en-1-ol (85551-57-1,936-58-3) + 2-carene (4497-92-1)

Guidance literature:

With boron trifluoride diethyl etherate; isobutyraldehyde; at 65 ℃; for 48h;

DOI:10.1021/jo00050a044

Reference yield: 66.0%

cis-3,7-dimethyl-2,6-octadienal (106-26-3,96680-15-8) → 3,7,7-trimethylbicyclo[4.1.0]hept-2-ene (554-61-0,4497-92-1,53702-19-5,65878-59-3)

Guidance literature:

With amalgamated zinc; 1,2-bis-(chlorodimethylsilyl)ethane; In diethyl ether; for 36h; Heating;

DOI:10.1016/0040-4039(94)02410-D

Reference yield: 15.0%

(+)-Δ3-carene (498-15-7,19079-29-9) → 2-carene (4497-92-1)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 100 ℃; for 4h;

DOI:10.1039/P19880001243

upstream raw materials:

cis-3,7-dimethyl-2,6-octadienal

3,7-dimethyl-2,6-octadienal

6-Methyl-hept-5-en-2-on

3,7-dimethyloct-6-en-1-yn-3-ol

Downstream raw materials:

m-cymene

4-methylisopropylbenzene

(+)-8-Acetoxy-p-mentha-1,5-dion

4R-α-terpineol

Refernces

• 1、 Acharya,Brown. "". . p. 1925,1932. Retrieved 1967.
• 2、 -. "METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF DELTA-9 TETRAHYDROCANNABINOL". Page/Page column 3/7. . Retrieved 2008/06/13.
• 3、 Brown, Herbert C.,Racherla, Uday S.,Liao, Y.,Khanna, Vijay V.. "Chiral Synthesis via Organoboranes. 35. Simple Procedures for the Efficient Recycling of the Terpenyl Chiral Auxiliaries and Convenient Isolation of the Homoallylic Alcohols in Asymmetric Allyl- and Crotylboration of Aldehydes". . p. 6608 - 6614. Retrieved 2007/10/02.